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GEEP coefficients for fixed radii. THIS IS THE GEEP LIB. They can be used together with the "omotetia" rule for erf function to obtain the expansion for whatever radius one desires Radius value are in Angstrom. More...
Variables | |
integer, parameter, public | min_geep_lib_gauss = 2 |
integer, parameter, public | max_geep_lib_gauss = 18 |
real(kind=dp), parameter, public | g2_rc = 1.30_dp |
real(kind=dp), parameter, public | g2_a1 = 0.121492_dp |
real(kind=dp), parameter, public | g2_b1 = 3.85695_dp |
real(kind=dp), parameter, public | g2_a2 = 0.104509_dp |
real(kind=dp), parameter, public | g2_b2 = 2.72971_dp |
real(kind=dp), parameter, public | g3_rc = 1.17_dp |
real(kind=dp), parameter, public | g3_a1 = 0.1142400_dp |
real(kind=dp), parameter, public | g3_b1 = 3.08635_dp |
real(kind=dp), parameter, public | g3_a2 = 0.0867876_dp |
real(kind=dp), parameter, public | g3_b2 = 2.38345_dp |
real(kind=dp), parameter, public | g3_a3 = 0.0971514_dp |
real(kind=dp), parameter, public | g3_b3 = 4.35065_dp |
real(kind=dp), parameter, public | g4_rc = 1.05_dp |
real(kind=dp), parameter, public | g4_a1 = 0.0776927_dp |
real(kind=dp), parameter, public | g4_b1 = 2.10429_dp |
real(kind=dp), parameter, public | g4_a2 = 0.1123350_dp |
real(kind=dp), parameter, public | g4_b2 = 2.59523_dp |
real(kind=dp), parameter, public | g4_a3 = 0.0812506_dp |
real(kind=dp), parameter, public | g4_b3 = 4.73860_dp |
real(kind=dp), parameter, public | g4_a4 = 0.0989222_dp |
real(kind=dp), parameter, public | g4_b4 = 3.44579_dp |
real(kind=dp), parameter, public | g5_rc = 0.9_dp |
real(kind=dp), parameter, public | g5_a1 = 0.0728205_dp |
real(kind=dp), parameter, public | g5_b1 = 4.98419_dp |
real(kind=dp), parameter, public | g5_a2 = 0.0797713_dp |
real(kind=dp), parameter, public | g5_b2 = 1.78985_dp |
real(kind=dp), parameter, public | g5_a3 = 0.0885763_dp |
real(kind=dp), parameter, public | g5_b3 = 3.68614_dp |
real(kind=dp), parameter, public | g5_a4 = 0.1104310_dp |
real(kind=dp), parameter, public | g5_b4 = 2.78214_dp |
real(kind=dp), parameter, public | g5_a5 = 0.1211280_dp |
real(kind=dp), parameter, public | g5_b5 = 2.15508_dp |
real(kind=dp), parameter, public | g6_rc = 0.9_dp |
real(kind=dp), parameter, public | g6_a1 = 0.0863850_dp |
real(kind=dp), parameter, public | g6_b1 = 3.20872_dp |
real(kind=dp), parameter, public | g6_a2 = 0.0704031_dp |
real(kind=dp), parameter, public | g6_b2 = 4.12508_dp |
real(kind=dp), parameter, public | g6_a3 = 0.0604464_dp |
real(kind=dp), parameter, public | g6_b3 = 5.40108_dp |
real(kind=dp), parameter, public | g6_a4 = 0.1029610_dp |
real(kind=dp), parameter, public | g6_b4 = 2.04751_dp |
real(kind=dp), parameter, public | g6_a5 = 0.1020950_dp |
real(kind=dp), parameter, public | g6_b5 = 2.52820_dp |
real(kind=dp), parameter, public | g6_a6 = 0.0621064_dp |
real(kind=dp), parameter, public | g6_b6 = 1.76831_dp |
real(kind=dp), parameter, public | g7_rc = 0.85_dp |
real(kind=dp), parameter, public | g7_a1 = 0.0969005_dp |
real(kind=dp), parameter, public | g7_b1 = 1.88076_dp |
real(kind=dp), parameter, public | g7_a2 = 0.0556821_dp |
real(kind=dp), parameter, public | g7_b2 = 1.65955_dp |
real(kind=dp), parameter, public | g7_a3 = 0.0607934_dp |
real(kind=dp), parameter, public | g7_b3 = 4.42485_dp |
real(kind=dp), parameter, public | g7_a4 = 0.0888440_dp |
real(kind=dp), parameter, public | g7_b4 = 2.79941_dp |
real(kind=dp), parameter, public | g7_a5 = 0.0535919_dp |
real(kind=dp), parameter, public | g7_b5 = 5.68373_dp |
real(kind=dp), parameter, public | g7_a6 = 0.0736222_dp |
real(kind=dp), parameter, public | g7_b6 = 3.50534_dp |
real(kind=dp), parameter, public | g7_a7 = 0.1011310_dp |
real(kind=dp), parameter, public | g7_b7 = 2.26261_dp |
real(kind=dp), parameter, public | g8_rc = 0.80_dp |
real(kind=dp), parameter, public | g8_a1 = 0.0557370_dp |
real(kind=dp), parameter, public | g8_b1 = 1.55883_dp |
real(kind=dp), parameter, public | g8_a2 = 0.0450800_dp |
real(kind=dp), parameter, public | g8_b2 = 6.02024_dp |
real(kind=dp), parameter, public | g8_a3 = 0.0496262_dp |
real(kind=dp), parameter, public | g8_b3 = 4.82212_dp |
real(kind=dp), parameter, public | g8_a4 = 0.0757863_dp |
real(kind=dp), parameter, public | g8_b4 = 3.16120_dp |
real(kind=dp), parameter, public | g8_a5 = 0.0608617_dp |
real(kind=dp), parameter, public | g8_b5 = 3.90652_dp |
real(kind=dp), parameter, public | g8_a6 = 0.1040810_dp |
real(kind=dp), parameter, public | g8_b6 = 2.09075_dp |
real(kind=dp), parameter, public | g8_a7 = 0.0983610_dp |
real(kind=dp), parameter, public | g8_b7 = 1.75423_dp |
real(kind=dp), parameter, public | g8_a8 = 0.0920273_dp |
real(kind=dp), parameter, public | g8_b8 = 2.55933_dp |
real(kind=dp), parameter, public | g9_rc = 0.70_dp |
real(kind=dp), parameter, public | g9_a1 = 0.1152140_dp |
real(kind=dp), parameter, public | g9_b1 = 1.54224_dp |
real(kind=dp), parameter, public | g9_a2 = 0.0280838_dp |
real(kind=dp), parameter, public | g9_b2 = 5.91022_dp |
real(kind=dp), parameter, public | g9_a3 = 0.0718097_dp |
real(kind=dp), parameter, public | g9_b3 = 3.54224_dp |
real(kind=dp), parameter, public | g9_a4 = 0.0585113_dp |
real(kind=dp), parameter, public | g9_b4 = 4.44860_dp |
real(kind=dp), parameter, public | g9_a5 = 0.1068470_dp |
real(kind=dp), parameter, public | g9_b5 = 2.27491_dp |
real(kind=dp), parameter, public | g9_a6 = 0.0883974_dp |
real(kind=dp), parameter, public | g9_b6 = 2.83230_dp |
real(kind=dp), parameter, public | g9_a7 = 0.1211100_dp |
real(kind=dp), parameter, public | g9_b7 = 1.84735_dp |
real(kind=dp), parameter, public | g9_a8 = 0.0273353_dp |
real(kind=dp), parameter, public | g9_b8 = 5.52297_dp |
real(kind=dp), parameter, public | g9_a9 = 0.0657478_dp |
real(kind=dp), parameter, public | g9_b9 = 1.36539_dp |
real(kind=dp), parameter, public | g10_rc = 0.60_dp |
real(kind=dp), parameter, public | g10_a1 = 0.1005460_dp |
real(kind=dp), parameter, public | g10_b1 = 2.49407_dp |
real(kind=dp), parameter, public | g10_a2 = 0.1246370_dp |
real(kind=dp), parameter, public | g10_b2 = 1.99718_dp |
real(kind=dp), parameter, public | g10_a3 = 0.0492434_dp |
real(kind=dp), parameter, public | g10_b3 = 4.70767_dp |
real(kind=dp), parameter, public | g10_a4 = 0.0785904_dp |
real(kind=dp), parameter, public | g10_b4 = 3.10735_dp |
real(kind=dp), parameter, public | g10_a5 = 0.0242791_dp |
real(kind=dp), parameter, public | g10_b5 = 5.81268_dp |
real(kind=dp), parameter, public | g10_a6 = 0.0229056_dp |
real(kind=dp), parameter, public | g10_b6 = 5.92886_dp |
real(kind=dp), parameter, public | g10_a7 = 0.0606229_dp |
real(kind=dp), parameter, public | g10_b7 = 3.83892_dp |
real(kind=dp), parameter, public | g10_a8 = 0.1442920_dp |
real(kind=dp), parameter, public | g10_b8 = 1.61113_dp |
real(kind=dp), parameter, public | g10_a9 = 0.0814189_dp |
real(kind=dp), parameter, public | g10_b9 = 1.17276_dp |
real(kind=dp), parameter, public | g10_a10 = 0.1401800_dp |
real(kind=dp), parameter, public | g10_b10 = 1.33402_dp |
real(kind=dp), parameter, public | g11_rc = 0.50_dp |
real(kind=dp), parameter, public | g11_a1 = 0.1041690_dp |
real(kind=dp), parameter, public | g11_b1 = 0.979627_dp |
real(kind=dp), parameter, public | g11_a2 = 0.0271666_dp |
real(kind=dp), parameter, public | g11_b2 = 5.799740_dp |
real(kind=dp), parameter, public | g11_a3 = 0.0200111_dp |
real(kind=dp), parameter, public | g11_b3 = 5.799660_dp |
real(kind=dp), parameter, public | g11_a4 = 0.0483906_dp |
real(kind=dp), parameter, public | g11_b4 = 4.203330_dp |
real(kind=dp), parameter, public | g11_a5 = 0.1777430_dp |
real(kind=dp), parameter, public | g11_b5 = 1.370190_dp |
real(kind=dp), parameter, public | g11_a6 = 0.0731972_dp |
real(kind=dp), parameter, public | g11_b6 = 3.415900_dp |
real(kind=dp), parameter, public | g11_a7 = 0.0950076_dp |
real(kind=dp), parameter, public | g11_b7 = 2.724470_dp |
real(kind=dp), parameter, public | g11_a8 = 0.0295802_dp |
real(kind=dp), parameter, public | g11_b8 = 4.825220_dp |
real(kind=dp), parameter, public | g11_a9 = 0.1212380_dp |
real(kind=dp), parameter, public | g11_b9 = 2.162170_dp |
real(kind=dp), parameter, public | g11_a10 = 0.1513510_dp |
real(kind=dp), parameter, public | g11_b10 = 1.714860_dp |
real(kind=dp), parameter, public | g11_a11 = 0.1760780_dp |
real(kind=dp), parameter, public | g11_b11 = 1.123400_dp |
real(kind=dp), parameter, public | g12_rc = 0.40_dp |
real(kind=dp), parameter, public | g12_a1 = 0.1420750_dp |
real(kind=dp), parameter, public | g12_b1 = 0.786470_dp |
real(kind=dp), parameter, public | g12_a2 = 0.0880114_dp |
real(kind=dp), parameter, public | g12_b2 = 2.942550_dp |
real(kind=dp), parameter, public | g12_a3 = 0.0645509_dp |
real(kind=dp), parameter, public | g12_b3 = 3.669640_dp |
real(kind=dp), parameter, public | g12_a4 = 0.1505330_dp |
real(kind=dp), parameter, public | g12_b4 = 1.826690_dp |
real(kind=dp), parameter, public | g12_a5 = 0.0183100_dp |
real(kind=dp), parameter, public | g12_b5 = 5.965520_dp |
real(kind=dp), parameter, public | g12_a6 = 0.0182645_dp |
real(kind=dp), parameter, public | g12_b6 = 5.965520_dp |
real(kind=dp), parameter, public | g12_a7 = 0.1160340_dp |
real(kind=dp), parameter, public | g12_b7 = 2.326450_dp |
real(kind=dp), parameter, public | g12_a8 = 0.0449121_dp |
real(kind=dp), parameter, public | g12_b8 = 4.458350_dp |
real(kind=dp), parameter, public | g12_a9 = 0.0264801_dp |
real(kind=dp), parameter, public | g12_b9 = 5.182710_dp |
real(kind=dp), parameter, public | g12_a10 = 0.2338230_dp |
real(kind=dp), parameter, public | g12_b10 = 0.912631_dp |
real(kind=dp), parameter, public | g12_a11 = 0.2295300_dp |
real(kind=dp), parameter, public | g12_b11 = 1.128850_dp |
real(kind=dp), parameter, public | g12_a12 = 0.1911980_dp |
real(kind=dp), parameter, public | g12_b12 = 1.431550_dp |
real(kind=dp), parameter, public | g13_rc = 0.30_dp |
real(kind=dp), parameter, public | g13_a1 = 0.2001960_dp |
real(kind=dp), parameter, public | g13_b1 = 0.591285_dp |
real(kind=dp), parameter, public | g13_a2 = 0.0884682_dp |
real(kind=dp), parameter, public | g13_b2 = 2.958380_dp |
real(kind=dp), parameter, public | g13_a3 = 0.1999450_dp |
real(kind=dp), parameter, public | g13_b3 = 1.420640_dp |
real(kind=dp), parameter, public | g13_a4 = 0.3235490_dp |
real(kind=dp), parameter, public | g13_b4 = 0.691636_dp |
real(kind=dp), parameter, public | g13_a5 = 0.0636926_dp |
real(kind=dp), parameter, public | g13_b5 = 3.693610_dp |
real(kind=dp), parameter, public | g13_a6 = 0.0409795_dp |
real(kind=dp), parameter, public | g13_b6 = 4.450810_dp |
real(kind=dp), parameter, public | g13_a7 = 0.1172330_dp |
real(kind=dp), parameter, public | g13_b7 = 2.332480_dp |
real(kind=dp), parameter, public | g13_a8 = 0.0278787_dp |
real(kind=dp), parameter, public | g13_b8 = 5.119550_dp |
real(kind=dp), parameter, public | g13_a9 = 0.0187190_dp |
real(kind=dp), parameter, public | g13_b9 = 5.952110_dp |
real(kind=dp), parameter, public | g13_a10 = 0.0187159_dp |
real(kind=dp), parameter, public | g13_b10 = 5.952110_dp |
real(kind=dp), parameter, public | g13_a11 = 0.3118340_dp |
real(kind=dp), parameter, public | g13_b11 = 0.863435_dp |
real(kind=dp), parameter, public | g13_a12 = 0.2562320_dp |
real(kind=dp), parameter, public | g13_b12 = 1.104410_dp |
real(kind=dp), parameter, public | g13_a13 = 0.1535690_dp |
real(kind=dp), parameter, public | g13_b13 = 1.824620_dp |
real(kind=dp), parameter, public | g14_rc = 0.20_dp |
real(kind=dp), parameter, public | g14_a1 = 0.3778350_dp |
real(kind=dp), parameter, public | g14_b1 = 0.786779_dp |
real(kind=dp), parameter, public | g14_a2 = 0.0944711_dp |
real(kind=dp), parameter, public | g14_b2 = 2.781090_dp |
real(kind=dp), parameter, public | g14_a3 = 0.0204159_dp |
real(kind=dp), parameter, public | g14_b3 = 5.876050_dp |
real(kind=dp), parameter, public | g14_a4 = 0.0204239_dp |
real(kind=dp), parameter, public | g14_b4 = 5.876050_dp |
real(kind=dp), parameter, public | g14_a5 = 0.2884320_dp |
real(kind=dp), parameter, public | g14_b5 = 1.023350_dp |
real(kind=dp), parameter, public | g14_a6 = 0.2186240_dp |
real(kind=dp), parameter, public | g14_b6 = 1.326440_dp |
real(kind=dp), parameter, public | g14_a7 = 0.0700271_dp |
real(kind=dp), parameter, public | g14_b7 = 3.483220_dp |
real(kind=dp), parameter, public | g14_a8 = 0.1656890_dp |
real(kind=dp), parameter, public | g14_b8 = 1.710300_dp |
real(kind=dp), parameter, public | g14_a9 = 0.0493301_dp |
real(kind=dp), parameter, public | g14_b9 = 4.268870_dp |
real(kind=dp), parameter, public | g14_a10 = 0.1254840_dp |
real(kind=dp), parameter, public | g14_b10 = 2.190730_dp |
real(kind=dp), parameter, public | g14_a11 = 0.0303071_dp |
real(kind=dp), parameter, public | g14_b11 = 4.999930_dp |
real(kind=dp), parameter, public | g14_a12 = 0.5269670_dp |
real(kind=dp), parameter, public | g14_b12 = 0.475269_dp |
real(kind=dp), parameter, public | g14_a13 = 0.3496170_dp |
real(kind=dp), parameter, public | g14_b13 = 0.397232_dp |
real(kind=dp), parameter, public | g14_a14 = 0.4776640_dp |
real(kind=dp), parameter, public | g14_b14 = 0.605916_dp |
real(kind=dp), parameter, public | g15_rc = 0.10_dp |
real(kind=dp), parameter, public | g15_a1 = 1.3606800_dp |
real(kind=dp), parameter, public | g15_b1 = 0.310940_dp |
real(kind=dp), parameter, public | g15_a2 = 0.0266233_dp |
real(kind=dp), parameter, public | g15_b2 = 5.801190_dp |
real(kind=dp), parameter, public | g15_a3 = 0.3896280_dp |
real(kind=dp), parameter, public | g15_b3 = 0.813967_dp |
real(kind=dp), parameter, public | g15_a4 = 0.0155094_dp |
real(kind=dp), parameter, public | g15_b4 = 5.800280_dp |
real(kind=dp), parameter, public | g15_a5 = 0.5574040_dp |
real(kind=dp), parameter, public | g15_b5 = 0.609044_dp |
real(kind=dp), parameter, public | g15_a6 = 0.8507370_dp |
real(kind=dp), parameter, public | g15_b6 = 0.443840_dp |
real(kind=dp), parameter, public | g15_a7 = 0.1590220_dp |
real(kind=dp), parameter, public | g15_b7 = 1.808170_dp |
real(kind=dp), parameter, public | g15_a8 = 0.2837530_dp |
real(kind=dp), parameter, public | g15_b8 = 1.071380_dp |
real(kind=dp), parameter, public | g15_a9 = 0.0645391_dp |
real(kind=dp), parameter, public | g15_b9 = 3.723390_dp |
real(kind=dp), parameter, public | g15_a10 = 0.0241980_dp |
real(kind=dp), parameter, public | g15_b10 = 4.946500_dp |
real(kind=dp), parameter, public | g15_a11 = 0.0344342_dp |
real(kind=dp), parameter, public | g15_b11 = 4.462030_dp |
real(kind=dp), parameter, public | g15_a12 = 0.2112170_dp |
real(kind=dp), parameter, public | g15_b12 = 1.396840_dp |
real(kind=dp), parameter, public | g15_a13 = 0.1202950_dp |
real(kind=dp), parameter, public | g15_b13 = 2.325120_dp |
real(kind=dp), parameter, public | g15_a14 = 0.0904425_dp |
real(kind=dp), parameter, public | g15_b14 = 2.965550_dp |
real(kind=dp), parameter, public | g15_a15 = 1.6040000_dp |
real(kind=dp), parameter, public | g15_b15 = 0.216434_dp |
real(kind=dp), parameter, public | g16_rc = 0.10_dp |
real(kind=dp), parameter, public | g16_a1 = 1.5843100_dp |
real(kind=dp), parameter, public | g16_b1 = 0.215959_dp |
real(kind=dp), parameter, public | g16_a2 = 0.0253725_dp |
real(kind=dp), parameter, public | g16_b2 = 5.737070_dp |
real(kind=dp), parameter, public | g16_a3 = 0.1191710_dp |
real(kind=dp), parameter, public | g16_b3 = 2.233620_dp |
real(kind=dp), parameter, public | g16_a4 = 0.2848860_dp |
real(kind=dp), parameter, public | g16_b4 = 1.050490_dp |
real(kind=dp), parameter, public | g16_a5 = 0.0134257_dp |
real(kind=dp), parameter, public | g16_b5 = 5.720440_dp |
real(kind=dp), parameter, public | g16_a6 = 0.0269327_dp |
real(kind=dp), parameter, public | g16_b6 = 4.542090_dp |
real(kind=dp), parameter, public | g16_a7 = 0.0888076_dp |
real(kind=dp), parameter, public | g16_b7 = 2.807370_dp |
real(kind=dp), parameter, public | g16_a8 = 0.3907140_dp |
real(kind=dp), parameter, public | g16_b8 = 0.801210_dp |
real(kind=dp), parameter, public | g16_a9 = 0.5584020_dp |
real(kind=dp), parameter, public | g16_b9 = 0.601540_dp |
real(kind=dp), parameter, public | g16_a10 = 0.0674428_dp |
real(kind=dp), parameter, public | g16_b10 = 3.477020_dp |
real(kind=dp), parameter, public | g16_a11 = 0.0167448_dp |
real(kind=dp), parameter, public | g16_b11 = 5.320770_dp |
real(kind=dp), parameter, public | g16_a12 = 0.2120830_dp |
real(kind=dp), parameter, public | g16_b12 = 1.363230_dp |
real(kind=dp), parameter, public | g16_a13 = 0.0363796_dp |
real(kind=dp), parameter, public | g16_b13 = 4.204950_dp |
real(kind=dp), parameter, public | g16_a14 = 0.8512990_dp |
real(kind=dp), parameter, public | g16_b14 = 0.439692_dp |
real(kind=dp), parameter, public | g16_a15 = 0.1591170_dp |
real(kind=dp), parameter, public | g16_b15 = 1.753690_dp |
real(kind=dp), parameter, public | g16_a16 = 1.3566500_dp |
real(kind=dp), parameter, public | g16_b16 = 0.308985_dp |
real(kind=dp), parameter, public | g17_rc = 0.10_dp |
real(kind=dp), parameter, public | g17_a1 = 0.0286263_dp |
real(kind=dp), parameter, public | g17_b1 = 5.897570_dp |
real(kind=dp), parameter, public | g17_a2 = 1.3621700_dp |
real(kind=dp), parameter, public | g17_b2 = 0.210930_dp |
real(kind=dp), parameter, public | g17_a3 = 0.8582340_dp |
real(kind=dp), parameter, public | g17_b3 = 0.396804_dp |
real(kind=dp), parameter, public | g17_a4 = 0.0918589_dp |
real(kind=dp), parameter, public | g17_b4 = 2.514930_dp |
real(kind=dp), parameter, public | g17_a5 = 0.2314390_dp |
real(kind=dp), parameter, public | g17_b5 = 1.077620_dp |
real(kind=dp), parameter, public | g17_a6 = 1.3030900_dp |
real(kind=dp), parameter, public | g17_b6 = 0.288252_dp |
real(kind=dp), parameter, public | g17_a7 = 0.1437920_dp |
real(kind=dp), parameter, public | g17_b7 = 1.658970_dp |
real(kind=dp), parameter, public | g17_a8 = 0.3010060_dp |
real(kind=dp), parameter, public | g17_b8 = 0.860535_dp |
real(kind=dp), parameter, public | g17_a9 = 0.0274321_dp |
real(kind=dp), parameter, public | g17_b9 = 5.099500_dp |
real(kind=dp), parameter, public | g17_a10 = 0.1814220_dp |
real(kind=dp), parameter, public | g17_b10 = 1.340220_dp |
real(kind=dp), parameter, public | g17_a11 = 0.4046220_dp |
real(kind=dp), parameter, public | g17_b11 = 0.679621_dp |
real(kind=dp), parameter, public | g17_a12 = 0.0735338_dp |
real(kind=dp), parameter, public | g17_b12 = 3.080580_dp |
real(kind=dp), parameter, public | g17_a13 = 0.0577419_dp |
real(kind=dp), parameter, public | g17_b13 = 3.752150_dp |
real(kind=dp), parameter, public | g17_a14 = 0.0388557_dp |
real(kind=dp), parameter, public | g17_b14 = 4.481620_dp |
real(kind=dp), parameter, public | g17_a15 = 0.1147140_dp |
real(kind=dp), parameter, public | g17_b15 = 2.045960_dp |
real(kind=dp), parameter, public | g17_a16 = 0.5719720_dp |
real(kind=dp), parameter, public | g17_b16 = 0.526925_dp |
real(kind=dp), parameter, public | g17_a17 = 0.0222331_dp |
real(kind=dp), parameter, public | g17_b17 = 6.674390_dp |
real(kind=dp), parameter, public | g18_rc = 0.10_dp |
real(kind=dp), parameter, public | g18_a1 = 0.0326473_dp |
real(kind=dp), parameter, public | g18_b1 = 5.962800_dp |
real(kind=dp), parameter, public | g18_a2 = 0.0181199_dp |
real(kind=dp), parameter, public | g18_b2 = 6.674950_dp |
real(kind=dp), parameter, public | g18_a3 = 0.8582970_dp |
real(kind=dp), parameter, public | g18_b3 = 0.396103_dp |
real(kind=dp), parameter, public | g18_a4 = 0.0880221_dp |
real(kind=dp), parameter, public | g18_b4 = 2.468750_dp |
real(kind=dp), parameter, public | g18_a5 = 0.1812460_dp |
real(kind=dp), parameter, public | g18_b5 = 1.332910_dp |
real(kind=dp), parameter, public | g18_a6 = 0.2314380_dp |
real(kind=dp), parameter, public | g18_b6 = 1.072960_dp |
real(kind=dp), parameter, public | g18_a7 = 0.0449632_dp |
real(kind=dp), parameter, public | g18_b7 = 3.435210_dp |
real(kind=dp), parameter, public | g18_a8 = 1.3583000_dp |
real(kind=dp), parameter, public | g18_b8 = 0.210847_dp |
real(kind=dp), parameter, public | g18_a9 = 0.1132310_dp |
real(kind=dp), parameter, public | g18_b9 = 2.024200_dp |
real(kind=dp), parameter, public | g18_a10 = 0.0251085_dp |
real(kind=dp), parameter, public | g18_b10 = 4.226690_dp |
real(kind=dp), parameter, public | g18_a11 = 0.4047630_dp |
real(kind=dp), parameter, public | g18_b11 = 0.677704_dp |
real(kind=dp), parameter, public | g18_a12 = 0.3010870_dp |
real(kind=dp), parameter, public | g18_b12 = 0.857535_dp |
real(kind=dp), parameter, public | g18_a13 = 1.3019600_dp |
real(kind=dp), parameter, public | g18_b13 = 0.287909_dp |
real(kind=dp), parameter, public | g18_a14 = 0.1432190_dp |
real(kind=dp), parameter, public | g18_b14 = 1.646940_dp |
real(kind=dp), parameter, public | g18_a15 = 0.0634725_dp |
real(kind=dp), parameter, public | g18_b15 = 2.959960_dp |
real(kind=dp), parameter, public | g18_a16 = 0.5721690_dp |
real(kind=dp), parameter, public | g18_b16 = 0.525730_dp |
real(kind=dp), parameter, public | g18_a17 = 0.0309731_dp |
real(kind=dp), parameter, public | g18_b17 = 3.918400_dp |
real(kind=dp), parameter, public | g18_a18 = 0.0429091_dp |
real(kind=dp), parameter, public | g18_b18 = 4.928750_dp |
real(kind=dp), parameter, public | s2_rc = 1.2_dp |
real(kind=dp), parameter, public | s2_a1 = 0.1167720_dp |
real(kind=dp), parameter, public | s2_b1 = 3.15760_dp |
real(kind=dp), parameter, public | s2_a2 = 0.0537459_dp |
real(kind=dp), parameter, public | s2_b2 = 1.66713_dp |
real(kind=dp), parameter, public | s3_rc = 1.05_dp |
real(kind=dp), parameter, public | s3_a1 = 0.1258370_dp |
real(kind=dp), parameter, public | s3_b1 = 3.54518_dp |
real(kind=dp), parameter, public | s3_a2 = 0.0920562_dp |
real(kind=dp), parameter, public | s3_b2 = 2.17201_dp |
real(kind=dp), parameter, public | s3_a3 = 0.0354098_dp |
real(kind=dp), parameter, public | s3_b3 = 1.16797_dp |
real(kind=dp), parameter, public | s4_rc = 0.90_dp |
real(kind=dp), parameter, public | s4_a1 = 0.1237040_dp |
real(kind=dp), parameter, public | s4_b1 = 3.82356_dp |
real(kind=dp), parameter, public | s4_a2 = 0.0263957_dp |
real(kind=dp), parameter, public | s4_b2 = 0.84445_dp |
real(kind=dp), parameter, public | s4_a3 = 0.0773548_dp |
real(kind=dp), parameter, public | s4_b3 = 1.56300_dp |
real(kind=dp), parameter, public | s4_a4 = 0.1243300_dp |
real(kind=dp), parameter, public | s4_b4 = 2.49568_dp |
real(kind=dp), parameter, public | s5_rc = 0.80_dp |
real(kind=dp), parameter, public | s5_a1 = 0.0601509_dp |
real(kind=dp), parameter, public | s5_b1 = 1.169940_dp |
real(kind=dp), parameter, public | s5_a2 = 0.1133640_dp |
real(kind=dp), parameter, public | s5_b2 = 1.853660_dp |
real(kind=dp), parameter, public | s5_a3 = 0.1120710_dp |
real(kind=dp), parameter, public | s5_b3 = 4.084220_dp |
real(kind=dp), parameter, public | s5_a4 = 0.1334100_dp |
real(kind=dp), parameter, public | s5_b4 = 2.762410_dp |
real(kind=dp), parameter, public | s5_a5 = 0.0186655_dp |
real(kind=dp), parameter, public | s5_b5 = 0.633305_dp |
real(kind=dp), parameter, public | s6_rc = 0.70_dp |
real(kind=dp), parameter, public | s6_a1 = 0.0494163_dp |
real(kind=dp), parameter, public | s6_b1 = 0.889897_dp |
real(kind=dp), parameter, public | s6_a2 = 0.1415590_dp |
real(kind=dp), parameter, public | s6_b2 = 2.073620_dp |
real(kind=dp), parameter, public | s6_a3 = 0.1311110_dp |
real(kind=dp), parameter, public | s6_b3 = 2.977960_dp |
real(kind=dp), parameter, public | s6_a4 = 0.1012530_dp |
real(kind=dp), parameter, public | s6_b4 = 4.306440_dp |
real(kind=dp), parameter, public | s6_a5 = 0.1037040_dp |
real(kind=dp), parameter, public | s6_b5 = 1.405500_dp |
real(kind=dp), parameter, public | s6_a6 = 0.0144409_dp |
real(kind=dp), parameter, public | s6_b6 = 0.482098_dp |
real(kind=dp), parameter, public | s7_rc = 0.65_dp |
real(kind=dp), parameter, public | s7_a1 = 0.08156290_dp |
real(kind=dp), parameter, public | s7_b1 = 1.104000_dp |
real(kind=dp), parameter, public | s7_a2 = 0.00971659_dp |
real(kind=dp), parameter, public | s7_b2 = 0.379602_dp |
real(kind=dp), parameter, public | s7_a3 = 0.09067690_dp |
real(kind=dp), parameter, public | s7_b3 = 4.537130_dp |
real(kind=dp), parameter, public | s7_a4 = 0.14334400_dp |
real(kind=dp), parameter, public | s7_b4 = 2.290480_dp |
real(kind=dp), parameter, public | s7_a5 = 0.13012600_dp |
real(kind=dp), parameter, public | s7_b5 = 1.619190_dp |
real(kind=dp), parameter, public | s7_a6 = 0.11794100_dp |
real(kind=dp), parameter, public | s7_b6 = 3.205850_dp |
real(kind=dp), parameter, public | s7_a7 = 0.03510960_dp |
real(kind=dp), parameter, public | s7_b7 = 0.700361_dp |
real(kind=dp), parameter, public | s8_rc = 0.60_dp |
real(kind=dp), parameter, public | s8_a1 = 0.14676300_dp |
real(kind=dp), parameter, public | s8_b1 = 1.802170_dp |
real(kind=dp), parameter, public | s8_a2 = 0.00686211_dp |
real(kind=dp), parameter, public | s8_b2 = 0.302201_dp |
real(kind=dp), parameter, public | s8_a3 = 0.08248590_dp |
real(kind=dp), parameter, public | s8_b3 = 4.741690_dp |
real(kind=dp), parameter, public | s8_a4 = 0.10588700_dp |
real(kind=dp), parameter, public | s8_b4 = 3.410740_dp |
real(kind=dp), parameter, public | s8_a5 = 0.06409090_dp |
real(kind=dp), parameter, public | s8_b5 = 0.877859_dp |
real(kind=dp), parameter, public | s8_a6 = 0.11461200_dp |
real(kind=dp), parameter, public | s8_b6 = 1.283730_dp |
real(kind=dp), parameter, public | s8_a7 = 0.13708200_dp |
real(kind=dp), parameter, public | s8_b7 = 2.482170_dp |
real(kind=dp), parameter, public | s8_a8 = 0.02571900_dp |
real(kind=dp), parameter, public | s8_b8 = 0.557431_dp |
real(kind=dp), parameter, public | s9_rc = 0.55_dp |
real(kind=dp), parameter, public | s9_a1 = 0.0760147_dp |
real(kind=dp), parameter, public | s9_b1 = 4.924130_dp |
real(kind=dp), parameter, public | s9_a2 = 0.0050867_dp |
real(kind=dp), parameter, public | s9_b2 = 0.242656_dp |
real(kind=dp), parameter, public | s9_a3 = 0.1524530_dp |
real(kind=dp), parameter, public | s9_b3 = 1.962780_dp |
real(kind=dp), parameter, public | s9_a4 = 0.0993944_dp |
real(kind=dp), parameter, public | s9_b4 = 1.028540_dp |
real(kind=dp), parameter, public | s9_a5 = 0.1433380_dp |
real(kind=dp), parameter, public | s9_b5 = 1.438020_dp |
real(kind=dp), parameter, public | s9_a6 = 0.1267950_dp |
real(kind=dp), parameter, public | s9_b6 = 2.655630_dp |
real(kind=dp), parameter, public | s9_a7 = 0.0958376_dp |
real(kind=dp), parameter, public | s9_b7 = 3.595590_dp |
real(kind=dp), parameter, public | s9_a8 = 0.0511698_dp |
real(kind=dp), parameter, public | s9_b8 = 0.704455_dp |
real(kind=dp), parameter, public | s9_a9 = 0.0195500_dp |
real(kind=dp), parameter, public | s9_b9 = 0.447544_dp |
real(kind=dp), parameter, public | s10_rc = 0.5_dp |
real(kind=dp), parameter, public | s10_a1 = 0.11585200_dp |
real(kind=dp), parameter, public | s10_b1 = 2.814420_dp |
real(kind=dp), parameter, public | s10_a2 = 0.01551000_dp |
real(kind=dp), parameter, public | s10_b2 = 0.361841_dp |
real(kind=dp), parameter, public | s10_a3 = 0.08772520_dp |
real(kind=dp), parameter, public | s10_b3 = 3.762340_dp |
real(kind=dp), parameter, public | s10_a4 = 0.16279600_dp |
real(kind=dp), parameter, public | s10_b4 = 1.572690_dp |
real(kind=dp), parameter, public | s10_a5 = 0.08664120_dp |
real(kind=dp), parameter, public | s10_b5 = 0.830482_dp |
real(kind=dp), parameter, public | s10_a6 = 0.13675500_dp |
real(kind=dp), parameter, public | s10_b6 = 1.158370_dp |
real(kind=dp), parameter, public | s10_a7 = 0.04201910_dp |
real(kind=dp), parameter, public | s10_b7 = 0.569340_dp |
real(kind=dp), parameter, public | s10_a8 = 0.14880800_dp |
real(kind=dp), parameter, public | s10_b8 = 2.107180_dp |
real(kind=dp), parameter, public | s10_a9 = 0.07080240_dp |
real(kind=dp), parameter, public | s10_b9 = 5.087590_dp |
real(kind=dp), parameter, public | s10_a10 = 0.00396733_dp |
real(kind=dp), parameter, public | s10_b10 = 0.196230_dp |
real(kind=dp), parameter, public | s11_rc = 0.45_dp |
real(kind=dp), parameter, public | s11_a1 = 0.16967500_dp |
real(kind=dp), parameter, public | s11_b1 = 1.274890_dp |
real(kind=dp), parameter, public | s11_a2 = 0.01316070_dp |
real(kind=dp), parameter, public | s11_b2 = 0.296680_dp |
real(kind=dp), parameter, public | s11_a3 = 0.06640200_dp |
real(kind=dp), parameter, public | s11_b3 = 5.239300_dp |
real(kind=dp), parameter, public | s11_a4 = 0.10578100_dp |
real(kind=dp), parameter, public | s11_b4 = 2.964600_dp |
real(kind=dp), parameter, public | s11_a5 = 0.07769660_dp |
real(kind=dp), parameter, public | s11_b5 = 0.677602_dp |
real(kind=dp), parameter, public | s11_a6 = 0.08097080_dp |
real(kind=dp), parameter, public | s11_b6 = 3.917730_dp |
real(kind=dp), parameter, public | s11_a7 = 0.16973700_dp |
real(kind=dp), parameter, public | s11_b7 = 1.696540_dp |
real(kind=dp), parameter, public | s11_a8 = 0.13064000_dp |
real(kind=dp), parameter, public | s11_b8 = 0.942777_dp |
real(kind=dp), parameter, public | s11_a9 = 0.03627480_dp |
real(kind=dp), parameter, public | s11_b9 = 0.465541_dp |
real(kind=dp), parameter, public | s11_a10 = 0.13917200_dp |
real(kind=dp), parameter, public | s11_b10 = 2.244230_dp |
real(kind=dp), parameter, public | s11_a11 = 0.00336822_dp |
real(kind=dp), parameter, public | s11_b11 = 0.161548_dp |
real(kind=dp), parameter, public | s12_rc = 0.40_dp |
real(kind=dp), parameter, public | s12_a1 = 0.09642700_dp |
real(kind=dp), parameter, public | s12_b1 = 3.118890_dp |
real(kind=dp), parameter, public | s12_a2 = 0.17691800_dp |
real(kind=dp), parameter, public | s12_b2 = 1.052170_dp |
real(kind=dp), parameter, public | s12_a3 = 0.06232170_dp |
real(kind=dp), parameter, public | s12_b3 = 5.393160_dp |
real(kind=dp), parameter, public | s12_a4 = 0.01269890_dp |
real(kind=dp), parameter, public | s12_b4 = 0.252183_dp |
real(kind=dp), parameter, public | s12_a5 = 0.07481830_dp |
real(kind=dp), parameter, public | s12_b5 = 4.075740_dp |
real(kind=dp), parameter, public | s12_a6 = 0.12917000_dp |
real(kind=dp), parameter, public | s12_b6 = 0.782380_dp |
real(kind=dp), parameter, public | s12_a7 = 0.03450160_dp |
real(kind=dp), parameter, public | s12_b7 = 0.391473_dp |
real(kind=dp), parameter, public | s12_a8 = 0.12664700_dp |
real(kind=dp), parameter, public | s12_b8 = 2.387640_dp |
real(kind=dp), parameter, public | s12_a9 = 0.07450870_dp |
real(kind=dp), parameter, public | s12_b9 = 0.565577_dp |
real(kind=dp), parameter, public | s12_a10 = 0.18916800_dp |
real(kind=dp), parameter, public | s12_b10 = 1.390920_dp |
real(kind=dp), parameter, public | s12_a11 = 0.16350600_dp |
real(kind=dp), parameter, public | s12_b11 = 1.824470_dp |
real(kind=dp), parameter, public | s12_a12 = 0.00339586_dp |
real(kind=dp), parameter, public | s12_b12 = 0.139492_dp |
real(kind=dp), parameter, public | s13_rc = 0.35_dp |
real(kind=dp), parameter, public | s13_a1 = 0.0827110_dp |
real(kind=dp), parameter, public | s13_b1 = 3.406540_dp |
real(kind=dp), parameter, public | s13_a2 = 0.1088730_dp |
real(kind=dp), parameter, public | s13_b2 = 2.646630_dp |
real(kind=dp), parameter, public | s13_a3 = 0.0548105_dp |
real(kind=dp), parameter, public | s13_b3 = 5.651890_dp |
real(kind=dp), parameter, public | s13_a4 = 0.1851320_dp |
real(kind=dp), parameter, public | s13_b4 = 1.572120_dp |
real(kind=dp), parameter, public | s13_a5 = 0.0153281_dp |
real(kind=dp), parameter, public | s13_b5 = 0.227432_dp |
real(kind=dp), parameter, public | s13_a6 = 0.1447980_dp |
real(kind=dp), parameter, public | s13_b6 = 0.684903_dp |
real(kind=dp), parameter, public | s13_a7 = 0.0400841_dp |
real(kind=dp), parameter, public | s13_b7 = 0.348420_dp |
real(kind=dp), parameter, public | s13_a8 = 0.1976780_dp |
real(kind=dp), parameter, public | s13_b8 = 0.915974_dp |
real(kind=dp), parameter, public | s13_a9 = 0.0845825_dp |
real(kind=dp), parameter, public | s13_b9 = 0.498603_dp |
real(kind=dp), parameter, public | s13_a10 = 0.2124150_dp |
real(kind=dp), parameter, public | s13_b10 = 1.204860_dp |
real(kind=dp), parameter, public | s13_a11 = 0.0643854_dp |
real(kind=dp), parameter, public | s13_b11 = 4.368000_dp |
real(kind=dp), parameter, public | s13_a12 = 0.1438660_dp |
real(kind=dp), parameter, public | s13_b12 = 2.044290_dp |
real(kind=dp), parameter, public | s13_a13 = 0.0043540_dp |
real(kind=dp), parameter, public | s13_b13 = 0.127923_dp |
real(kind=dp), parameter, public | s14_rc = 0.3_dp |
real(kind=dp), parameter, public | s14_a1 = 0.1185130_dp |
real(kind=dp), parameter, public | s14_b1 = 2.483340_dp |
real(kind=dp), parameter, public | s14_a2 = 0.2451880_dp |
real(kind=dp), parameter, public | s14_b2 = 1.119610_dp |
real(kind=dp), parameter, public | s14_a3 = 0.0585112_dp |
real(kind=dp), parameter, public | s14_b3 = 0.327881_dp |
real(kind=dp), parameter, public | s14_a4 = 0.2441530_dp |
real(kind=dp), parameter, public | s14_b4 = 0.851146_dp |
real(kind=dp), parameter, public | s14_a5 = 0.1561530_dp |
real(kind=dp), parameter, public | s14_b5 = 1.909900_dp |
real(kind=dp), parameter, public | s14_a6 = 0.1178640_dp |
real(kind=dp), parameter, public | s14_b6 = 0.466300_dp |
real(kind=dp), parameter, public | s14_a7 = 0.0710939_dp |
real(kind=dp), parameter, public | s14_b7 = 4.176560_dp |
real(kind=dp), parameter, public | s14_a8 = 0.0907698_dp |
real(kind=dp), parameter, public | s14_b8 = 3.219580_dp |
real(kind=dp), parameter, public | s14_a9 = 0.0298147_dp |
real(kind=dp), parameter, public | s14_b9 = 5.495980_dp |
real(kind=dp), parameter, public | s14_a10 = 0.0233818_dp |
real(kind=dp), parameter, public | s14_b10 = 0.215814_dp |
real(kind=dp), parameter, public | s14_a11 = 0.2037940_dp |
real(kind=dp), parameter, public | s14_b11 = 1.464080_dp |
real(kind=dp), parameter, public | s14_a12 = 0.1909540_dp |
real(kind=dp), parameter, public | s14_b12 = 0.637845_dp |
real(kind=dp), parameter, public | s14_a13 = 0.0300539_dp |
real(kind=dp), parameter, public | s14_b13 = 5.481830_dp |
real(kind=dp), parameter, public | s14_a14 = 0.0069580_dp |
real(kind=dp), parameter, public | s14_b14 = 0.122528_dp |
real(kind=dp), parameter, public | s15_rc = 0.25_dp |
real(kind=dp), parameter, public | s15_a1 = 0.0945048_dp |
real(kind=dp), parameter, public | s15_b1 = 2.945510_dp |
real(kind=dp), parameter, public | s15_a2 = 0.2601310_dp |
real(kind=dp), parameter, public | s15_b2 = 0.589258_dp |
real(kind=dp), parameter, public | s15_a3 = 0.1267470_dp |
real(kind=dp), parameter, public | s15_b3 = 2.288550_dp |
real(kind=dp), parameter, public | s15_a4 = 0.0389633_dp |
real(kind=dp), parameter, public | s15_b4 = 0.203996_dp |
real(kind=dp), parameter, public | s15_a5 = 0.1688290_dp |
real(kind=dp), parameter, public | s15_b5 = 1.763470_dp |
real(kind=dp), parameter, public | s15_a6 = 0.2822050_dp |
real(kind=dp), parameter, public | s15_b6 = 1.031520_dp |
real(kind=dp), parameter, public | s15_a7 = 0.3048940_dp |
real(kind=dp), parameter, public | s15_b7 = 0.784165_dp |
real(kind=dp), parameter, public | s15_a8 = 0.0262863_dp |
real(kind=dp), parameter, public | s15_b8 = 5.598990_dp |
real(kind=dp), parameter, public | s15_a9 = 0.0231427_dp |
real(kind=dp), parameter, public | s15_b9 = 5.844390_dp |
real(kind=dp), parameter, public | s15_a10 = 0.0484052_dp |
real(kind=dp), parameter, public | s15_b10 = 4.606440_dp |
real(kind=dp), parameter, public | s15_a11 = 0.0680845_dp |
real(kind=dp), parameter, public | s15_b11 = 3.734880_dp |
real(kind=dp), parameter, public | s15_a12 = 0.0918188_dp |
real(kind=dp), parameter, public | s15_b12 = 0.306903_dp |
real(kind=dp), parameter, public | s15_a13 = 0.2236530_dp |
real(kind=dp), parameter, public | s15_b13 = 1.351070_dp |
real(kind=dp), parameter, public | s15_a14 = 0.1732960_dp |
real(kind=dp), parameter, public | s15_b14 = 0.433086_dp |
real(kind=dp), parameter, public | s15_a15 = 0.0122787_dp |
real(kind=dp), parameter, public | s15_b15 = 0.116976_dp |
real(kind=dp), parameter, public | s16_rc = 0.20_dp |
real(kind=dp), parameter, public | s16_a1 = 0.0355363_dp |
real(kind=dp), parameter, public | s16_b1 = 5.119830_dp |
real(kind=dp), parameter, public | s16_a2 = 0.0250461_dp |
real(kind=dp), parameter, public | s16_b2 = 0.111228_dp |
real(kind=dp), parameter, public | s16_a3 = 0.0555360_dp |
real(kind=dp), parameter, public | s16_b3 = 4.232680_dp |
real(kind=dp), parameter, public | s16_a4 = 0.0747956_dp |
real(kind=dp), parameter, public | s16_b4 = 3.406690_dp |
real(kind=dp), parameter, public | s16_a5 = 0.0739676_dp |
real(kind=dp), parameter, public | s16_b5 = 0.192075_dp |
real(kind=dp), parameter, public | s16_a6 = 0.1016150_dp |
real(kind=dp), parameter, public | s16_b6 = 2.694530_dp |
real(kind=dp), parameter, public | s16_a7 = 0.1600940_dp |
real(kind=dp), parameter, public | s16_b7 = 0.285880_dp |
real(kind=dp), parameter, public | s16_a8 = 0.3823200_dp |
real(kind=dp), parameter, public | s16_b8 = 0.717807_dp |
real(kind=dp), parameter, public | s16_a9 = 0.0174934_dp |
real(kind=dp), parameter, public | s16_b9 = 5.965260_dp |
real(kind=dp), parameter, public | s16_a10 = 0.1369610_dp |
real(kind=dp), parameter, public | s16_b10 = 2.100230_dp |
real(kind=dp), parameter, public | s16_a11 = 0.1835200_dp |
real(kind=dp), parameter, public | s16_b11 = 1.620280_dp |
real(kind=dp), parameter, public | s16_a12 = 0.2453470_dp |
real(kind=dp), parameter, public | s16_b12 = 1.240770_dp |
real(kind=dp), parameter, public | s16_a13 = 0.3219940_dp |
real(kind=dp), parameter, public | s16_b13 = 0.945350_dp |
real(kind=dp), parameter, public | s16_a14 = 0.0174978_dp |
real(kind=dp), parameter, public | s16_b14 = 5.965260_dp |
real(kind=dp), parameter, public | s16_a15 = 0.3677700_dp |
real(kind=dp), parameter, public | s16_b15 = 0.540682_dp |
real(kind=dp), parameter, public | s16_a16 = 0.2742210_dp |
real(kind=dp), parameter, public | s16_b16 = 0.399796_dp |
real(kind=dp), parameter, public | s17_rc = 0.15_dp |
real(kind=dp), parameter, public | s17_a1 = 0.0844127_dp |
real(kind=dp), parameter, public | s17_b1 = 3.242020_dp |
real(kind=dp), parameter, public | s17_a2 = 0.5321910_dp |
real(kind=dp), parameter, public | s17_b2 = 0.495959_dp |
real(kind=dp), parameter, public | s17_a3 = 0.4682070_dp |
real(kind=dp), parameter, public | s17_b3 = 0.659162_dp |
real(kind=dp), parameter, public | s17_a4 = 0.0316333_dp |
real(kind=dp), parameter, public | s17_b4 = 4.520730_dp |
real(kind=dp), parameter, public | s17_a5 = 0.1497940_dp |
real(kind=dp), parameter, public | s17_b5 = 1.957400_dp |
real(kind=dp), parameter, public | s17_a6 = 0.0181484_dp |
real(kind=dp), parameter, public | s17_b6 = 5.592050_dp |
real(kind=dp), parameter, public | s17_a7 = 0.0181805_dp |
real(kind=dp), parameter, public | s17_b7 = 5.592050_dp |
real(kind=dp), parameter, public | s17_a8 = 0.4758870_dp |
real(kind=dp), parameter, public | s17_b8 = 0.368353_dp |
real(kind=dp), parameter, public | s17_a9 = 0.0474720_dp |
real(kind=dp), parameter, public | s17_b9 = 4.043220_dp |
real(kind=dp), parameter, public | s17_a10 = 0.2678960_dp |
real(kind=dp), parameter, public | s17_b10 = 1.148850_dp |
real(kind=dp), parameter, public | s17_a11 = 0.1998770_dp |
real(kind=dp), parameter, public | s17_b11 = 1.504430_dp |
real(kind=dp), parameter, public | s17_a12 = 0.0181970_dp |
real(kind=dp), parameter, public | s17_b12 = 5.592050_dp |
real(kind=dp), parameter, public | s17_a13 = 0.3261780_dp |
real(kind=dp), parameter, public | s17_b13 = 0.265656_dp |
real(kind=dp), parameter, public | s17_a14 = 0.1720050_dp |
real(kind=dp), parameter, public | s17_b14 = 0.180302_dp |
real(kind=dp), parameter, public | s17_a15 = 0.1127310_dp |
real(kind=dp), parameter, public | s17_b15 = 2.529320_dp |
real(kind=dp), parameter, public | s17_a16 = 0.3595840_dp |
real(kind=dp), parameter, public | s17_b16 = 0.872121_dp |
real(kind=dp), parameter, public | s17_a17 = 0.0642967_dp |
real(kind=dp), parameter, public | s17_b17 = 0.105311_dp |
real(kind=dp), parameter, public | s18_rc = 0.05_dp |
real(kind=dp), parameter, public | s18_a1 = 0.1013430_dp |
real(kind=dp), parameter, public | s18_b1 = 0.0270641_dp |
real(kind=dp), parameter, public | s18_a2 = 0.0583885_dp |
real(kind=dp), parameter, public | s18_b2 = 4.2001100_dp |
real(kind=dp), parameter, public | s18_a3 = 1.1587600_dp |
real(kind=dp), parameter, public | s18_b3 = 0.3072560_dp |
real(kind=dp), parameter, public | s18_a4 = 0.1255030_dp |
real(kind=dp), parameter, public | s18_b4 = 2.3069300_dp |
real(kind=dp), parameter, public | s18_a5 = 0.0469195_dp |
real(kind=dp), parameter, public | s18_b5 = 3.5331200_dp |
real(kind=dp), parameter, public | s18_a6 = 0.3728020_dp |
real(kind=dp), parameter, public | s18_b6 = 0.0498868_dp |
real(kind=dp), parameter, public | s18_a7 = 0.8990960_dp |
real(kind=dp), parameter, public | s18_b7 = 0.0785500_dp |
real(kind=dp), parameter, public | s18_a8 = 0.3146440_dp |
real(kind=dp), parameter, public | s18_b8 = 1.0197600_dp |
real(kind=dp), parameter, public | s18_a9 = 1.5250400_dp |
real(kind=dp), parameter, public | s18_b9 = 0.1149420_dp |
real(kind=dp), parameter, public | s18_a10 = 0.4308660_dp |
real(kind=dp), parameter, public | s18_b10 = 0.7644820_dp |
real(kind=dp), parameter, public | s18_a11 = 0.8278010_dp |
real(kind=dp), parameter, public | s18_b11 = 0.4197150_dp |
real(kind=dp), parameter, public | s18_a12 = 0.5947340_dp |
real(kind=dp), parameter, public | s18_b12 = 0.5687230_dp |
real(kind=dp), parameter, public | s18_a13 = 1.5771300_dp |
real(kind=dp), parameter, public | s18_b13 = 0.2235160_dp |
real(kind=dp), parameter, public | s18_a14 = 0.1707930_dp |
real(kind=dp), parameter, public | s18_b14 = 1.7733300_dp |
real(kind=dp), parameter, public | s18_a15 = 1.8160800_dp |
real(kind=dp), parameter, public | s18_b15 = 0.1616990_dp |
real(kind=dp), parameter, public | s18_a16 = 0.0857559_dp |
real(kind=dp), parameter, public | s18_b16 = 2.9441700_dp |
real(kind=dp), parameter, public | s18_a17 = 0.2313250_dp |
real(kind=dp), parameter, public | s18_b17 = 1.3500600_dp |
real(kind=dp), parameter, public | s18_a18 = 0.0593302_dp |
real(kind=dp), parameter, public | s18_b18 = 5.4023800_dp |
GEEP coefficients for fixed radii. THIS IS THE GEEP LIB. They can be used together with the "omotetia" rule for erf function to obtain the expansion for whatever radius one desires Radius value are in Angstrom.
integer, parameter, public qmmm_gaussian_data::min_geep_lib_gauss = 2 |
Definition at line 26 of file qmmm_gaussian_data.F.
integer, parameter, public qmmm_gaussian_data::max_geep_lib_gauss = 18 |
Definition at line 27 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g2_rc = 1.30_dp |
Definition at line 29 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g2_a1 = 0.121492_dp |
Definition at line 30 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g2_b1 = 3.85695_dp |
Definition at line 30 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g2_a2 = 0.104509_dp |
Definition at line 31 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g2_b2 = 2.72971_dp |
Definition at line 31 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g3_rc = 1.17_dp |
Definition at line 33 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g3_a1 = 0.1142400_dp |
Definition at line 34 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g3_b1 = 3.08635_dp |
Definition at line 34 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g3_a2 = 0.0867876_dp |
Definition at line 35 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g3_b2 = 2.38345_dp |
Definition at line 35 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g3_a3 = 0.0971514_dp |
Definition at line 36 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g3_b3 = 4.35065_dp |
Definition at line 36 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g4_rc = 1.05_dp |
Definition at line 38 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g4_a1 = 0.0776927_dp |
Definition at line 39 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g4_b1 = 2.10429_dp |
Definition at line 39 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g4_a2 = 0.1123350_dp |
Definition at line 40 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g4_b2 = 2.59523_dp |
Definition at line 40 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g4_a3 = 0.0812506_dp |
Definition at line 41 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g4_b3 = 4.73860_dp |
Definition at line 41 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g4_a4 = 0.0989222_dp |
Definition at line 42 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g4_b4 = 3.44579_dp |
Definition at line 42 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g5_rc = 0.9_dp |
Definition at line 44 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g5_a1 = 0.0728205_dp |
Definition at line 45 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g5_b1 = 4.98419_dp |
Definition at line 45 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g5_a2 = 0.0797713_dp |
Definition at line 46 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g5_b2 = 1.78985_dp |
Definition at line 46 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g5_a3 = 0.0885763_dp |
Definition at line 47 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g5_b3 = 3.68614_dp |
Definition at line 47 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g5_a4 = 0.1104310_dp |
Definition at line 48 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g5_b4 = 2.78214_dp |
Definition at line 48 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g5_a5 = 0.1211280_dp |
Definition at line 49 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g5_b5 = 2.15508_dp |
Definition at line 49 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g6_rc = 0.9_dp |
Definition at line 51 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g6_a1 = 0.0863850_dp |
Definition at line 52 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g6_b1 = 3.20872_dp |
Definition at line 52 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g6_a2 = 0.0704031_dp |
Definition at line 53 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g6_b2 = 4.12508_dp |
Definition at line 53 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g6_a3 = 0.0604464_dp |
Definition at line 54 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g6_b3 = 5.40108_dp |
Definition at line 54 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g6_a4 = 0.1029610_dp |
Definition at line 55 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g6_b4 = 2.04751_dp |
Definition at line 55 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g6_a5 = 0.1020950_dp |
Definition at line 56 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g6_b5 = 2.52820_dp |
Definition at line 56 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g6_a6 = 0.0621064_dp |
Definition at line 57 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g6_b6 = 1.76831_dp |
Definition at line 57 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g7_rc = 0.85_dp |
Definition at line 59 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g7_a1 = 0.0969005_dp |
Definition at line 60 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g7_b1 = 1.88076_dp |
Definition at line 60 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g7_a2 = 0.0556821_dp |
Definition at line 61 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g7_b2 = 1.65955_dp |
Definition at line 61 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g7_a3 = 0.0607934_dp |
Definition at line 62 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g7_b3 = 4.42485_dp |
Definition at line 62 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g7_a4 = 0.0888440_dp |
Definition at line 63 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g7_b4 = 2.79941_dp |
Definition at line 63 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g7_a5 = 0.0535919_dp |
Definition at line 64 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g7_b5 = 5.68373_dp |
Definition at line 64 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g7_a6 = 0.0736222_dp |
Definition at line 65 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g7_b6 = 3.50534_dp |
Definition at line 65 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g7_a7 = 0.1011310_dp |
Definition at line 66 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g7_b7 = 2.26261_dp |
Definition at line 66 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g8_rc = 0.80_dp |
Definition at line 68 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g8_a1 = 0.0557370_dp |
Definition at line 69 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g8_b1 = 1.55883_dp |
Definition at line 69 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g8_a2 = 0.0450800_dp |
Definition at line 70 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g8_b2 = 6.02024_dp |
Definition at line 70 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g8_a3 = 0.0496262_dp |
Definition at line 71 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g8_b3 = 4.82212_dp |
Definition at line 71 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g8_a4 = 0.0757863_dp |
Definition at line 72 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g8_b4 = 3.16120_dp |
Definition at line 72 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g8_a5 = 0.0608617_dp |
Definition at line 73 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g8_b5 = 3.90652_dp |
Definition at line 73 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g8_a6 = 0.1040810_dp |
Definition at line 74 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g8_b6 = 2.09075_dp |
Definition at line 74 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g8_a7 = 0.0983610_dp |
Definition at line 75 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g8_b7 = 1.75423_dp |
Definition at line 75 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g8_a8 = 0.0920273_dp |
Definition at line 76 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g8_b8 = 2.55933_dp |
Definition at line 76 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g9_rc = 0.70_dp |
Definition at line 78 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g9_a1 = 0.1152140_dp |
Definition at line 79 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g9_b1 = 1.54224_dp |
Definition at line 79 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g9_a2 = 0.0280838_dp |
Definition at line 80 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g9_b2 = 5.91022_dp |
Definition at line 80 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g9_a3 = 0.0718097_dp |
Definition at line 81 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g9_b3 = 3.54224_dp |
Definition at line 81 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g9_a4 = 0.0585113_dp |
Definition at line 82 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g9_b4 = 4.44860_dp |
Definition at line 82 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g9_a5 = 0.1068470_dp |
Definition at line 83 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g9_b5 = 2.27491_dp |
Definition at line 83 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g9_a6 = 0.0883974_dp |
Definition at line 84 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g9_b6 = 2.83230_dp |
Definition at line 84 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g9_a7 = 0.1211100_dp |
Definition at line 85 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g9_b7 = 1.84735_dp |
Definition at line 85 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g9_a8 = 0.0273353_dp |
Definition at line 86 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g9_b8 = 5.52297_dp |
Definition at line 86 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g9_a9 = 0.0657478_dp |
Definition at line 87 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g9_b9 = 1.36539_dp |
Definition at line 87 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g10_rc = 0.60_dp |
Definition at line 89 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g10_a1 = 0.1005460_dp |
Definition at line 90 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g10_b1 = 2.49407_dp |
Definition at line 90 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g10_a2 = 0.1246370_dp |
Definition at line 91 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g10_b2 = 1.99718_dp |
Definition at line 91 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g10_a3 = 0.0492434_dp |
Definition at line 92 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g10_b3 = 4.70767_dp |
Definition at line 92 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g10_a4 = 0.0785904_dp |
Definition at line 93 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g10_b4 = 3.10735_dp |
Definition at line 93 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g10_a5 = 0.0242791_dp |
Definition at line 94 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g10_b5 = 5.81268_dp |
Definition at line 94 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g10_a6 = 0.0229056_dp |
Definition at line 95 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g10_b6 = 5.92886_dp |
Definition at line 95 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g10_a7 = 0.0606229_dp |
Definition at line 96 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g10_b7 = 3.83892_dp |
Definition at line 96 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g10_a8 = 0.1442920_dp |
Definition at line 97 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g10_b8 = 1.61113_dp |
Definition at line 97 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g10_a9 = 0.0814189_dp |
Definition at line 98 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g10_b9 = 1.17276_dp |
Definition at line 98 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g10_a10 = 0.1401800_dp |
Definition at line 99 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g10_b10 = 1.33402_dp |
Definition at line 99 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_rc = 0.50_dp |
Definition at line 101 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_a1 = 0.1041690_dp |
Definition at line 102 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_b1 = 0.979627_dp |
Definition at line 102 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_a2 = 0.0271666_dp |
Definition at line 103 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_b2 = 5.799740_dp |
Definition at line 103 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_a3 = 0.0200111_dp |
Definition at line 104 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_b3 = 5.799660_dp |
Definition at line 104 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_a4 = 0.0483906_dp |
Definition at line 105 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_b4 = 4.203330_dp |
Definition at line 105 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_a5 = 0.1777430_dp |
Definition at line 106 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_b5 = 1.370190_dp |
Definition at line 106 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_a6 = 0.0731972_dp |
Definition at line 107 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_b6 = 3.415900_dp |
Definition at line 107 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_a7 = 0.0950076_dp |
Definition at line 108 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_b7 = 2.724470_dp |
Definition at line 108 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_a8 = 0.0295802_dp |
Definition at line 109 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_b8 = 4.825220_dp |
Definition at line 109 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_a9 = 0.1212380_dp |
Definition at line 110 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_b9 = 2.162170_dp |
Definition at line 110 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_a10 = 0.1513510_dp |
Definition at line 111 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_b10 = 1.714860_dp |
Definition at line 111 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_a11 = 0.1760780_dp |
Definition at line 112 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g11_b11 = 1.123400_dp |
Definition at line 112 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_rc = 0.40_dp |
Definition at line 114 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_a1 = 0.1420750_dp |
Definition at line 115 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_b1 = 0.786470_dp |
Definition at line 115 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_a2 = 0.0880114_dp |
Definition at line 116 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_b2 = 2.942550_dp |
Definition at line 116 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_a3 = 0.0645509_dp |
Definition at line 117 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_b3 = 3.669640_dp |
Definition at line 117 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_a4 = 0.1505330_dp |
Definition at line 118 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_b4 = 1.826690_dp |
Definition at line 118 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_a5 = 0.0183100_dp |
Definition at line 119 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_b5 = 5.965520_dp |
Definition at line 119 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_a6 = 0.0182645_dp |
Definition at line 120 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_b6 = 5.965520_dp |
Definition at line 120 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_a7 = 0.1160340_dp |
Definition at line 121 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_b7 = 2.326450_dp |
Definition at line 121 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_a8 = 0.0449121_dp |
Definition at line 122 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_b8 = 4.458350_dp |
Definition at line 122 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_a9 = 0.0264801_dp |
Definition at line 123 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_b9 = 5.182710_dp |
Definition at line 123 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_a10 = 0.2338230_dp |
Definition at line 124 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_b10 = 0.912631_dp |
Definition at line 124 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_a11 = 0.2295300_dp |
Definition at line 125 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_b11 = 1.128850_dp |
Definition at line 125 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_a12 = 0.1911980_dp |
Definition at line 126 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g12_b12 = 1.431550_dp |
Definition at line 126 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_rc = 0.30_dp |
Definition at line 128 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_a1 = 0.2001960_dp |
Definition at line 129 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_b1 = 0.591285_dp |
Definition at line 129 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_a2 = 0.0884682_dp |
Definition at line 130 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_b2 = 2.958380_dp |
Definition at line 130 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_a3 = 0.1999450_dp |
Definition at line 131 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_b3 = 1.420640_dp |
Definition at line 131 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_a4 = 0.3235490_dp |
Definition at line 132 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_b4 = 0.691636_dp |
Definition at line 132 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_a5 = 0.0636926_dp |
Definition at line 133 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_b5 = 3.693610_dp |
Definition at line 133 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_a6 = 0.0409795_dp |
Definition at line 134 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_b6 = 4.450810_dp |
Definition at line 134 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_a7 = 0.1172330_dp |
Definition at line 135 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_b7 = 2.332480_dp |
Definition at line 135 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_a8 = 0.0278787_dp |
Definition at line 136 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_b8 = 5.119550_dp |
Definition at line 136 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_a9 = 0.0187190_dp |
Definition at line 137 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_b9 = 5.952110_dp |
Definition at line 137 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_a10 = 0.0187159_dp |
Definition at line 138 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_b10 = 5.952110_dp |
Definition at line 138 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_a11 = 0.3118340_dp |
Definition at line 139 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_b11 = 0.863435_dp |
Definition at line 139 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_a12 = 0.2562320_dp |
Definition at line 140 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_b12 = 1.104410_dp |
Definition at line 140 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_a13 = 0.1535690_dp |
Definition at line 141 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g13_b13 = 1.824620_dp |
Definition at line 141 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_rc = 0.20_dp |
Definition at line 143 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_a1 = 0.3778350_dp |
Definition at line 144 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_b1 = 0.786779_dp |
Definition at line 144 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_a2 = 0.0944711_dp |
Definition at line 145 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_b2 = 2.781090_dp |
Definition at line 145 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_a3 = 0.0204159_dp |
Definition at line 146 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_b3 = 5.876050_dp |
Definition at line 146 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_a4 = 0.0204239_dp |
Definition at line 147 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_b4 = 5.876050_dp |
Definition at line 147 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_a5 = 0.2884320_dp |
Definition at line 148 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_b5 = 1.023350_dp |
Definition at line 148 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_a6 = 0.2186240_dp |
Definition at line 149 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_b6 = 1.326440_dp |
Definition at line 149 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_a7 = 0.0700271_dp |
Definition at line 150 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_b7 = 3.483220_dp |
Definition at line 150 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_a8 = 0.1656890_dp |
Definition at line 151 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_b8 = 1.710300_dp |
Definition at line 151 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_a9 = 0.0493301_dp |
Definition at line 152 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_b9 = 4.268870_dp |
Definition at line 152 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_a10 = 0.1254840_dp |
Definition at line 153 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_b10 = 2.190730_dp |
Definition at line 153 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_a11 = 0.0303071_dp |
Definition at line 154 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_b11 = 4.999930_dp |
Definition at line 154 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_a12 = 0.5269670_dp |
Definition at line 155 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_b12 = 0.475269_dp |
Definition at line 155 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_a13 = 0.3496170_dp |
Definition at line 156 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_b13 = 0.397232_dp |
Definition at line 156 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_a14 = 0.4776640_dp |
Definition at line 157 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g14_b14 = 0.605916_dp |
Definition at line 157 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_rc = 0.10_dp |
Definition at line 159 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_a1 = 1.3606800_dp |
Definition at line 160 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_b1 = 0.310940_dp |
Definition at line 160 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_a2 = 0.0266233_dp |
Definition at line 161 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_b2 = 5.801190_dp |
Definition at line 161 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_a3 = 0.3896280_dp |
Definition at line 162 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_b3 = 0.813967_dp |
Definition at line 162 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_a4 = 0.0155094_dp |
Definition at line 163 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_b4 = 5.800280_dp |
Definition at line 163 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_a5 = 0.5574040_dp |
Definition at line 164 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_b5 = 0.609044_dp |
Definition at line 164 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_a6 = 0.8507370_dp |
Definition at line 165 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_b6 = 0.443840_dp |
Definition at line 165 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_a7 = 0.1590220_dp |
Definition at line 166 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_b7 = 1.808170_dp |
Definition at line 166 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_a8 = 0.2837530_dp |
Definition at line 167 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_b8 = 1.071380_dp |
Definition at line 167 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_a9 = 0.0645391_dp |
Definition at line 168 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_b9 = 3.723390_dp |
Definition at line 168 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_a10 = 0.0241980_dp |
Definition at line 169 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_b10 = 4.946500_dp |
Definition at line 169 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_a11 = 0.0344342_dp |
Definition at line 170 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_b11 = 4.462030_dp |
Definition at line 170 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_a12 = 0.2112170_dp |
Definition at line 171 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_b12 = 1.396840_dp |
Definition at line 171 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_a13 = 0.1202950_dp |
Definition at line 172 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_b13 = 2.325120_dp |
Definition at line 172 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_a14 = 0.0904425_dp |
Definition at line 173 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_b14 = 2.965550_dp |
Definition at line 173 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_a15 = 1.6040000_dp |
Definition at line 174 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g15_b15 = 0.216434_dp |
Definition at line 174 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_rc = 0.10_dp |
Definition at line 176 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_a1 = 1.5843100_dp |
Definition at line 177 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_b1 = 0.215959_dp |
Definition at line 177 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_a2 = 0.0253725_dp |
Definition at line 178 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_b2 = 5.737070_dp |
Definition at line 178 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_a3 = 0.1191710_dp |
Definition at line 179 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_b3 = 2.233620_dp |
Definition at line 179 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_a4 = 0.2848860_dp |
Definition at line 180 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_b4 = 1.050490_dp |
Definition at line 180 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_a5 = 0.0134257_dp |
Definition at line 181 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_b5 = 5.720440_dp |
Definition at line 181 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_a6 = 0.0269327_dp |
Definition at line 182 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_b6 = 4.542090_dp |
Definition at line 182 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_a7 = 0.0888076_dp |
Definition at line 183 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_b7 = 2.807370_dp |
Definition at line 183 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_a8 = 0.3907140_dp |
Definition at line 184 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_b8 = 0.801210_dp |
Definition at line 184 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_a9 = 0.5584020_dp |
Definition at line 185 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_b9 = 0.601540_dp |
Definition at line 185 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_a10 = 0.0674428_dp |
Definition at line 186 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_b10 = 3.477020_dp |
Definition at line 186 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_a11 = 0.0167448_dp |
Definition at line 187 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_b11 = 5.320770_dp |
Definition at line 187 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_a12 = 0.2120830_dp |
Definition at line 188 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_b12 = 1.363230_dp |
Definition at line 188 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_a13 = 0.0363796_dp |
Definition at line 189 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_b13 = 4.204950_dp |
Definition at line 189 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_a14 = 0.8512990_dp |
Definition at line 190 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_b14 = 0.439692_dp |
Definition at line 190 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_a15 = 0.1591170_dp |
Definition at line 191 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_b15 = 1.753690_dp |
Definition at line 191 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_a16 = 1.3566500_dp |
Definition at line 192 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g16_b16 = 0.308985_dp |
Definition at line 192 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_rc = 0.10_dp |
Definition at line 194 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_a1 = 0.0286263_dp |
Definition at line 195 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_b1 = 5.897570_dp |
Definition at line 195 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_a2 = 1.3621700_dp |
Definition at line 196 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_b2 = 0.210930_dp |
Definition at line 196 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_a3 = 0.8582340_dp |
Definition at line 197 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_b3 = 0.396804_dp |
Definition at line 197 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_a4 = 0.0918589_dp |
Definition at line 198 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_b4 = 2.514930_dp |
Definition at line 198 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_a5 = 0.2314390_dp |
Definition at line 199 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_b5 = 1.077620_dp |
Definition at line 199 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_a6 = 1.3030900_dp |
Definition at line 200 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_b6 = 0.288252_dp |
Definition at line 200 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_a7 = 0.1437920_dp |
Definition at line 201 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_b7 = 1.658970_dp |
Definition at line 201 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_a8 = 0.3010060_dp |
Definition at line 202 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_b8 = 0.860535_dp |
Definition at line 202 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_a9 = 0.0274321_dp |
Definition at line 203 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_b9 = 5.099500_dp |
Definition at line 203 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_a10 = 0.1814220_dp |
Definition at line 204 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_b10 = 1.340220_dp |
Definition at line 204 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_a11 = 0.4046220_dp |
Definition at line 205 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_b11 = 0.679621_dp |
Definition at line 205 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_a12 = 0.0735338_dp |
Definition at line 206 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_b12 = 3.080580_dp |
Definition at line 206 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_a13 = 0.0577419_dp |
Definition at line 207 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_b13 = 3.752150_dp |
Definition at line 207 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_a14 = 0.0388557_dp |
Definition at line 208 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_b14 = 4.481620_dp |
Definition at line 208 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_a15 = 0.1147140_dp |
Definition at line 209 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_b15 = 2.045960_dp |
Definition at line 209 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_a16 = 0.5719720_dp |
Definition at line 210 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_b16 = 0.526925_dp |
Definition at line 210 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_a17 = 0.0222331_dp |
Definition at line 211 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g17_b17 = 6.674390_dp |
Definition at line 211 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_rc = 0.10_dp |
Definition at line 213 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_a1 = 0.0326473_dp |
Definition at line 214 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_b1 = 5.962800_dp |
Definition at line 214 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_a2 = 0.0181199_dp |
Definition at line 215 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_b2 = 6.674950_dp |
Definition at line 215 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_a3 = 0.8582970_dp |
Definition at line 216 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_b3 = 0.396103_dp |
Definition at line 216 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_a4 = 0.0880221_dp |
Definition at line 217 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_b4 = 2.468750_dp |
Definition at line 217 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_a5 = 0.1812460_dp |
Definition at line 218 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_b5 = 1.332910_dp |
Definition at line 218 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_a6 = 0.2314380_dp |
Definition at line 219 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_b6 = 1.072960_dp |
Definition at line 219 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_a7 = 0.0449632_dp |
Definition at line 220 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_b7 = 3.435210_dp |
Definition at line 220 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_a8 = 1.3583000_dp |
Definition at line 221 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_b8 = 0.210847_dp |
Definition at line 221 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_a9 = 0.1132310_dp |
Definition at line 222 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_b9 = 2.024200_dp |
Definition at line 222 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_a10 = 0.0251085_dp |
Definition at line 223 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_b10 = 4.226690_dp |
Definition at line 223 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_a11 = 0.4047630_dp |
Definition at line 224 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_b11 = 0.677704_dp |
Definition at line 224 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_a12 = 0.3010870_dp |
Definition at line 225 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_b12 = 0.857535_dp |
Definition at line 225 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_a13 = 1.3019600_dp |
Definition at line 226 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_b13 = 0.287909_dp |
Definition at line 226 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_a14 = 0.1432190_dp |
Definition at line 227 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_b14 = 1.646940_dp |
Definition at line 227 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_a15 = 0.0634725_dp |
Definition at line 228 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_b15 = 2.959960_dp |
Definition at line 228 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_a16 = 0.5721690_dp |
Definition at line 229 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_b16 = 0.525730_dp |
Definition at line 229 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_a17 = 0.0309731_dp |
Definition at line 230 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_b17 = 3.918400_dp |
Definition at line 230 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_a18 = 0.0429091_dp |
Definition at line 231 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::g18_b18 = 4.928750_dp |
Definition at line 231 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s2_rc = 1.2_dp |
Definition at line 235 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s2_a1 = 0.1167720_dp |
Definition at line 236 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s2_b1 = 3.15760_dp |
Definition at line 236 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s2_a2 = 0.0537459_dp |
Definition at line 237 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s2_b2 = 1.66713_dp |
Definition at line 237 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s3_rc = 1.05_dp |
Definition at line 239 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s3_a1 = 0.1258370_dp |
Definition at line 240 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s3_b1 = 3.54518_dp |
Definition at line 240 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s3_a2 = 0.0920562_dp |
Definition at line 241 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s3_b2 = 2.17201_dp |
Definition at line 241 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s3_a3 = 0.0354098_dp |
Definition at line 242 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s3_b3 = 1.16797_dp |
Definition at line 242 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s4_rc = 0.90_dp |
Definition at line 244 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s4_a1 = 0.1237040_dp |
Definition at line 245 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s4_b1 = 3.82356_dp |
Definition at line 245 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s4_a2 = 0.0263957_dp |
Definition at line 246 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s4_b2 = 0.84445_dp |
Definition at line 246 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s4_a3 = 0.0773548_dp |
Definition at line 247 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s4_b3 = 1.56300_dp |
Definition at line 247 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s4_a4 = 0.1243300_dp |
Definition at line 248 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s4_b4 = 2.49568_dp |
Definition at line 248 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s5_rc = 0.80_dp |
Definition at line 250 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s5_a1 = 0.0601509_dp |
Definition at line 251 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s5_b1 = 1.169940_dp |
Definition at line 251 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s5_a2 = 0.1133640_dp |
Definition at line 252 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s5_b2 = 1.853660_dp |
Definition at line 252 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s5_a3 = 0.1120710_dp |
Definition at line 253 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s5_b3 = 4.084220_dp |
Definition at line 253 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s5_a4 = 0.1334100_dp |
Definition at line 254 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s5_b4 = 2.762410_dp |
Definition at line 254 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s5_a5 = 0.0186655_dp |
Definition at line 255 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s5_b5 = 0.633305_dp |
Definition at line 255 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s6_rc = 0.70_dp |
Definition at line 257 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s6_a1 = 0.0494163_dp |
Definition at line 258 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s6_b1 = 0.889897_dp |
Definition at line 258 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s6_a2 = 0.1415590_dp |
Definition at line 259 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s6_b2 = 2.073620_dp |
Definition at line 259 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s6_a3 = 0.1311110_dp |
Definition at line 260 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s6_b3 = 2.977960_dp |
Definition at line 260 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s6_a4 = 0.1012530_dp |
Definition at line 261 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s6_b4 = 4.306440_dp |
Definition at line 261 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s6_a5 = 0.1037040_dp |
Definition at line 262 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s6_b5 = 1.405500_dp |
Definition at line 262 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s6_a6 = 0.0144409_dp |
Definition at line 263 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s6_b6 = 0.482098_dp |
Definition at line 263 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s7_rc = 0.65_dp |
Definition at line 265 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s7_a1 = 0.08156290_dp |
Definition at line 266 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s7_b1 = 1.104000_dp |
Definition at line 266 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s7_a2 = 0.00971659_dp |
Definition at line 267 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s7_b2 = 0.379602_dp |
Definition at line 267 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s7_a3 = 0.09067690_dp |
Definition at line 268 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s7_b3 = 4.537130_dp |
Definition at line 268 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s7_a4 = 0.14334400_dp |
Definition at line 269 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s7_b4 = 2.290480_dp |
Definition at line 269 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s7_a5 = 0.13012600_dp |
Definition at line 270 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s7_b5 = 1.619190_dp |
Definition at line 270 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s7_a6 = 0.11794100_dp |
Definition at line 271 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s7_b6 = 3.205850_dp |
Definition at line 271 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s7_a7 = 0.03510960_dp |
Definition at line 272 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s7_b7 = 0.700361_dp |
Definition at line 272 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s8_rc = 0.60_dp |
Definition at line 274 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s8_a1 = 0.14676300_dp |
Definition at line 275 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s8_b1 = 1.802170_dp |
Definition at line 275 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s8_a2 = 0.00686211_dp |
Definition at line 276 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s8_b2 = 0.302201_dp |
Definition at line 276 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s8_a3 = 0.08248590_dp |
Definition at line 277 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s8_b3 = 4.741690_dp |
Definition at line 277 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s8_a4 = 0.10588700_dp |
Definition at line 278 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s8_b4 = 3.410740_dp |
Definition at line 278 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s8_a5 = 0.06409090_dp |
Definition at line 279 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s8_b5 = 0.877859_dp |
Definition at line 279 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s8_a6 = 0.11461200_dp |
Definition at line 280 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s8_b6 = 1.283730_dp |
Definition at line 280 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s8_a7 = 0.13708200_dp |
Definition at line 281 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s8_b7 = 2.482170_dp |
Definition at line 281 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s8_a8 = 0.02571900_dp |
Definition at line 282 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s8_b8 = 0.557431_dp |
Definition at line 282 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s9_rc = 0.55_dp |
Definition at line 284 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s9_a1 = 0.0760147_dp |
Definition at line 285 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s9_b1 = 4.924130_dp |
Definition at line 285 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s9_a2 = 0.0050867_dp |
Definition at line 286 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s9_b2 = 0.242656_dp |
Definition at line 286 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s9_a3 = 0.1524530_dp |
Definition at line 287 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s9_b3 = 1.962780_dp |
Definition at line 287 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s9_a4 = 0.0993944_dp |
Definition at line 288 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s9_b4 = 1.028540_dp |
Definition at line 288 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s9_a5 = 0.1433380_dp |
Definition at line 289 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s9_b5 = 1.438020_dp |
Definition at line 289 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s9_a6 = 0.1267950_dp |
Definition at line 290 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s9_b6 = 2.655630_dp |
Definition at line 290 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s9_a7 = 0.0958376_dp |
Definition at line 291 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s9_b7 = 3.595590_dp |
Definition at line 291 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s9_a8 = 0.0511698_dp |
Definition at line 292 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s9_b8 = 0.704455_dp |
Definition at line 292 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s9_a9 = 0.0195500_dp |
Definition at line 293 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s9_b9 = 0.447544_dp |
Definition at line 293 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s10_rc = 0.5_dp |
Definition at line 295 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s10_a1 = 0.11585200_dp |
Definition at line 296 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s10_b1 = 2.814420_dp |
Definition at line 296 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s10_a2 = 0.01551000_dp |
Definition at line 297 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s10_b2 = 0.361841_dp |
Definition at line 297 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s10_a3 = 0.08772520_dp |
Definition at line 298 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s10_b3 = 3.762340_dp |
Definition at line 298 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s10_a4 = 0.16279600_dp |
Definition at line 299 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s10_b4 = 1.572690_dp |
Definition at line 299 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s10_a5 = 0.08664120_dp |
Definition at line 300 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s10_b5 = 0.830482_dp |
Definition at line 300 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s10_a6 = 0.13675500_dp |
Definition at line 301 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s10_b6 = 1.158370_dp |
Definition at line 301 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s10_a7 = 0.04201910_dp |
Definition at line 302 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s10_b7 = 0.569340_dp |
Definition at line 302 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s10_a8 = 0.14880800_dp |
Definition at line 303 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s10_b8 = 2.107180_dp |
Definition at line 303 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s10_a9 = 0.07080240_dp |
Definition at line 304 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s10_b9 = 5.087590_dp |
Definition at line 304 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s10_a10 = 0.00396733_dp |
Definition at line 305 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s10_b10 = 0.196230_dp |
Definition at line 305 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_rc = 0.45_dp |
Definition at line 307 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_a1 = 0.16967500_dp |
Definition at line 308 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_b1 = 1.274890_dp |
Definition at line 308 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_a2 = 0.01316070_dp |
Definition at line 309 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_b2 = 0.296680_dp |
Definition at line 309 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_a3 = 0.06640200_dp |
Definition at line 310 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_b3 = 5.239300_dp |
Definition at line 310 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_a4 = 0.10578100_dp |
Definition at line 311 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_b4 = 2.964600_dp |
Definition at line 311 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_a5 = 0.07769660_dp |
Definition at line 312 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_b5 = 0.677602_dp |
Definition at line 312 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_a6 = 0.08097080_dp |
Definition at line 313 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_b6 = 3.917730_dp |
Definition at line 313 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_a7 = 0.16973700_dp |
Definition at line 314 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_b7 = 1.696540_dp |
Definition at line 314 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_a8 = 0.13064000_dp |
Definition at line 315 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_b8 = 0.942777_dp |
Definition at line 315 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_a9 = 0.03627480_dp |
Definition at line 316 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_b9 = 0.465541_dp |
Definition at line 316 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_a10 = 0.13917200_dp |
Definition at line 317 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_b10 = 2.244230_dp |
Definition at line 317 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_a11 = 0.00336822_dp |
Definition at line 318 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s11_b11 = 0.161548_dp |
Definition at line 318 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_rc = 0.40_dp |
Definition at line 320 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_a1 = 0.09642700_dp |
Definition at line 321 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_b1 = 3.118890_dp |
Definition at line 321 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_a2 = 0.17691800_dp |
Definition at line 322 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_b2 = 1.052170_dp |
Definition at line 322 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_a3 = 0.06232170_dp |
Definition at line 323 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_b3 = 5.393160_dp |
Definition at line 323 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_a4 = 0.01269890_dp |
Definition at line 324 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_b4 = 0.252183_dp |
Definition at line 324 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_a5 = 0.07481830_dp |
Definition at line 325 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_b5 = 4.075740_dp |
Definition at line 325 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_a6 = 0.12917000_dp |
Definition at line 326 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_b6 = 0.782380_dp |
Definition at line 326 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_a7 = 0.03450160_dp |
Definition at line 327 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_b7 = 0.391473_dp |
Definition at line 327 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_a8 = 0.12664700_dp |
Definition at line 328 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_b8 = 2.387640_dp |
Definition at line 328 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_a9 = 0.07450870_dp |
Definition at line 329 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_b9 = 0.565577_dp |
Definition at line 329 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_a10 = 0.18916800_dp |
Definition at line 330 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_b10 = 1.390920_dp |
Definition at line 330 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_a11 = 0.16350600_dp |
Definition at line 331 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_b11 = 1.824470_dp |
Definition at line 331 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_a12 = 0.00339586_dp |
Definition at line 332 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s12_b12 = 0.139492_dp |
Definition at line 332 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_rc = 0.35_dp |
Definition at line 334 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_a1 = 0.0827110_dp |
Definition at line 335 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_b1 = 3.406540_dp |
Definition at line 335 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_a2 = 0.1088730_dp |
Definition at line 336 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_b2 = 2.646630_dp |
Definition at line 336 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_a3 = 0.0548105_dp |
Definition at line 337 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_b3 = 5.651890_dp |
Definition at line 337 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_a4 = 0.1851320_dp |
Definition at line 338 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_b4 = 1.572120_dp |
Definition at line 338 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_a5 = 0.0153281_dp |
Definition at line 339 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_b5 = 0.227432_dp |
Definition at line 339 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_a6 = 0.1447980_dp |
Definition at line 340 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_b6 = 0.684903_dp |
Definition at line 340 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_a7 = 0.0400841_dp |
Definition at line 341 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_b7 = 0.348420_dp |
Definition at line 341 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_a8 = 0.1976780_dp |
Definition at line 342 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_b8 = 0.915974_dp |
Definition at line 342 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_a9 = 0.0845825_dp |
Definition at line 343 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_b9 = 0.498603_dp |
Definition at line 343 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_a10 = 0.2124150_dp |
Definition at line 344 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_b10 = 1.204860_dp |
Definition at line 344 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_a11 = 0.0643854_dp |
Definition at line 345 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_b11 = 4.368000_dp |
Definition at line 345 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_a12 = 0.1438660_dp |
Definition at line 346 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_b12 = 2.044290_dp |
Definition at line 346 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_a13 = 0.0043540_dp |
Definition at line 347 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s13_b13 = 0.127923_dp |
Definition at line 347 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_rc = 0.3_dp |
Definition at line 349 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_a1 = 0.1185130_dp |
Definition at line 350 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_b1 = 2.483340_dp |
Definition at line 350 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_a2 = 0.2451880_dp |
Definition at line 351 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_b2 = 1.119610_dp |
Definition at line 351 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_a3 = 0.0585112_dp |
Definition at line 352 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_b3 = 0.327881_dp |
Definition at line 352 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_a4 = 0.2441530_dp |
Definition at line 353 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_b4 = 0.851146_dp |
Definition at line 353 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_a5 = 0.1561530_dp |
Definition at line 354 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_b5 = 1.909900_dp |
Definition at line 354 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_a6 = 0.1178640_dp |
Definition at line 355 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_b6 = 0.466300_dp |
Definition at line 355 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_a7 = 0.0710939_dp |
Definition at line 356 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_b7 = 4.176560_dp |
Definition at line 356 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_a8 = 0.0907698_dp |
Definition at line 357 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_b8 = 3.219580_dp |
Definition at line 357 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_a9 = 0.0298147_dp |
Definition at line 358 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_b9 = 5.495980_dp |
Definition at line 358 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_a10 = 0.0233818_dp |
Definition at line 359 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_b10 = 0.215814_dp |
Definition at line 359 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_a11 = 0.2037940_dp |
Definition at line 360 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_b11 = 1.464080_dp |
Definition at line 360 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_a12 = 0.1909540_dp |
Definition at line 361 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_b12 = 0.637845_dp |
Definition at line 361 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_a13 = 0.0300539_dp |
Definition at line 362 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_b13 = 5.481830_dp |
Definition at line 362 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_a14 = 0.0069580_dp |
Definition at line 363 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s14_b14 = 0.122528_dp |
Definition at line 363 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_rc = 0.25_dp |
Definition at line 365 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_a1 = 0.0945048_dp |
Definition at line 366 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_b1 = 2.945510_dp |
Definition at line 366 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_a2 = 0.2601310_dp |
Definition at line 367 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_b2 = 0.589258_dp |
Definition at line 367 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_a3 = 0.1267470_dp |
Definition at line 368 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_b3 = 2.288550_dp |
Definition at line 368 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_a4 = 0.0389633_dp |
Definition at line 369 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_b4 = 0.203996_dp |
Definition at line 369 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_a5 = 0.1688290_dp |
Definition at line 370 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_b5 = 1.763470_dp |
Definition at line 370 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_a6 = 0.2822050_dp |
Definition at line 371 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_b6 = 1.031520_dp |
Definition at line 371 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_a7 = 0.3048940_dp |
Definition at line 372 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_b7 = 0.784165_dp |
Definition at line 372 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_a8 = 0.0262863_dp |
Definition at line 373 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_b8 = 5.598990_dp |
Definition at line 373 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_a9 = 0.0231427_dp |
Definition at line 374 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_b9 = 5.844390_dp |
Definition at line 374 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_a10 = 0.0484052_dp |
Definition at line 375 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_b10 = 4.606440_dp |
Definition at line 375 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_a11 = 0.0680845_dp |
Definition at line 376 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_b11 = 3.734880_dp |
Definition at line 376 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_a12 = 0.0918188_dp |
Definition at line 377 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_b12 = 0.306903_dp |
Definition at line 377 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_a13 = 0.2236530_dp |
Definition at line 378 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_b13 = 1.351070_dp |
Definition at line 378 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_a14 = 0.1732960_dp |
Definition at line 379 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_b14 = 0.433086_dp |
Definition at line 379 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_a15 = 0.0122787_dp |
Definition at line 380 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s15_b15 = 0.116976_dp |
Definition at line 380 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_rc = 0.20_dp |
Definition at line 382 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_a1 = 0.0355363_dp |
Definition at line 383 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_b1 = 5.119830_dp |
Definition at line 383 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_a2 = 0.0250461_dp |
Definition at line 384 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_b2 = 0.111228_dp |
Definition at line 384 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_a3 = 0.0555360_dp |
Definition at line 385 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_b3 = 4.232680_dp |
Definition at line 385 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_a4 = 0.0747956_dp |
Definition at line 386 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_b4 = 3.406690_dp |
Definition at line 386 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_a5 = 0.0739676_dp |
Definition at line 387 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_b5 = 0.192075_dp |
Definition at line 387 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_a6 = 0.1016150_dp |
Definition at line 388 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_b6 = 2.694530_dp |
Definition at line 388 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_a7 = 0.1600940_dp |
Definition at line 389 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_b7 = 0.285880_dp |
Definition at line 389 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_a8 = 0.3823200_dp |
Definition at line 390 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_b8 = 0.717807_dp |
Definition at line 390 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_a9 = 0.0174934_dp |
Definition at line 391 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_b9 = 5.965260_dp |
Definition at line 391 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_a10 = 0.1369610_dp |
Definition at line 392 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_b10 = 2.100230_dp |
Definition at line 392 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_a11 = 0.1835200_dp |
Definition at line 393 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_b11 = 1.620280_dp |
Definition at line 393 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_a12 = 0.2453470_dp |
Definition at line 394 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_b12 = 1.240770_dp |
Definition at line 394 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_a13 = 0.3219940_dp |
Definition at line 395 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_b13 = 0.945350_dp |
Definition at line 395 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_a14 = 0.0174978_dp |
Definition at line 396 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_b14 = 5.965260_dp |
Definition at line 396 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_a15 = 0.3677700_dp |
Definition at line 397 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_b15 = 0.540682_dp |
Definition at line 397 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_a16 = 0.2742210_dp |
Definition at line 398 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s16_b16 = 0.399796_dp |
Definition at line 398 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_rc = 0.15_dp |
Definition at line 400 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_a1 = 0.0844127_dp |
Definition at line 401 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_b1 = 3.242020_dp |
Definition at line 401 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_a2 = 0.5321910_dp |
Definition at line 402 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_b2 = 0.495959_dp |
Definition at line 402 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_a3 = 0.4682070_dp |
Definition at line 403 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_b3 = 0.659162_dp |
Definition at line 403 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_a4 = 0.0316333_dp |
Definition at line 404 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_b4 = 4.520730_dp |
Definition at line 404 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_a5 = 0.1497940_dp |
Definition at line 405 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_b5 = 1.957400_dp |
Definition at line 405 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_a6 = 0.0181484_dp |
Definition at line 406 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_b6 = 5.592050_dp |
Definition at line 406 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_a7 = 0.0181805_dp |
Definition at line 407 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_b7 = 5.592050_dp |
Definition at line 407 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_a8 = 0.4758870_dp |
Definition at line 408 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_b8 = 0.368353_dp |
Definition at line 408 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_a9 = 0.0474720_dp |
Definition at line 409 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_b9 = 4.043220_dp |
Definition at line 409 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_a10 = 0.2678960_dp |
Definition at line 410 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_b10 = 1.148850_dp |
Definition at line 410 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_a11 = 0.1998770_dp |
Definition at line 411 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_b11 = 1.504430_dp |
Definition at line 411 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_a12 = 0.0181970_dp |
Definition at line 412 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_b12 = 5.592050_dp |
Definition at line 412 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_a13 = 0.3261780_dp |
Definition at line 413 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_b13 = 0.265656_dp |
Definition at line 413 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_a14 = 0.1720050_dp |
Definition at line 414 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_b14 = 0.180302_dp |
Definition at line 414 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_a15 = 0.1127310_dp |
Definition at line 415 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_b15 = 2.529320_dp |
Definition at line 415 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_a16 = 0.3595840_dp |
Definition at line 416 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_b16 = 0.872121_dp |
Definition at line 416 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_a17 = 0.0642967_dp |
Definition at line 417 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s17_b17 = 0.105311_dp |
Definition at line 417 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_rc = 0.05_dp |
Definition at line 419 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_a1 = 0.1013430_dp |
Definition at line 420 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_b1 = 0.0270641_dp |
Definition at line 420 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_a2 = 0.0583885_dp |
Definition at line 421 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_b2 = 4.2001100_dp |
Definition at line 421 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_a3 = 1.1587600_dp |
Definition at line 422 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_b3 = 0.3072560_dp |
Definition at line 422 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_a4 = 0.1255030_dp |
Definition at line 423 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_b4 = 2.3069300_dp |
Definition at line 423 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_a5 = 0.0469195_dp |
Definition at line 424 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_b5 = 3.5331200_dp |
Definition at line 424 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_a6 = 0.3728020_dp |
Definition at line 425 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_b6 = 0.0498868_dp |
Definition at line 425 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_a7 = 0.8990960_dp |
Definition at line 426 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_b7 = 0.0785500_dp |
Definition at line 426 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_a8 = 0.3146440_dp |
Definition at line 427 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_b8 = 1.0197600_dp |
Definition at line 427 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_a9 = 1.5250400_dp |
Definition at line 428 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_b9 = 0.1149420_dp |
Definition at line 428 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_a10 = 0.4308660_dp |
Definition at line 429 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_b10 = 0.7644820_dp |
Definition at line 429 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_a11 = 0.8278010_dp |
Definition at line 430 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_b11 = 0.4197150_dp |
Definition at line 430 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_a12 = 0.5947340_dp |
Definition at line 431 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_b12 = 0.5687230_dp |
Definition at line 431 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_a13 = 1.5771300_dp |
Definition at line 432 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_b13 = 0.2235160_dp |
Definition at line 432 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_a14 = 0.1707930_dp |
Definition at line 433 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_b14 = 1.7733300_dp |
Definition at line 433 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_a15 = 1.8160800_dp |
Definition at line 434 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_b15 = 0.1616990_dp |
Definition at line 434 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_a16 = 0.0857559_dp |
Definition at line 435 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_b16 = 2.9441700_dp |
Definition at line 435 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_a17 = 0.2313250_dp |
Definition at line 436 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_b17 = 1.3500600_dp |
Definition at line 436 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_a18 = 0.0593302_dp |
Definition at line 437 of file qmmm_gaussian_data.F.
real(kind=dp), parameter, public qmmm_gaussian_data::s18_b18 = 5.4023800_dp |
Definition at line 437 of file qmmm_gaussian_data.F.