(git:e7e05ae)
ai_elec_field.F File Reference

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Modules

module  ai_elec_field
 Calculation of Coulomb integrals over Cartesian Gaussian-type functions (electron repulsion integrals, ERIs).
 

Functions/Subroutines

subroutine, public ai_elec_field::efg (la_max, la_min, npgfa, rpgfa, zeta, lb_max, lb_min, npgfb, rpgfb, zetb, rac, rbc, rab, vab, ldrr1, ldrr2, rr)
 Calculation of the primitive electric field integrals over Cartesian Gaussian-type functions. More...