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subroutine, public | helium_io::helium_read_xyz (coords, file_name, para_env) |
| Read XYZ coordinates from file.
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subroutine, public | helium_io::helium_write_setup (helium) |
| Write helium parameters to the output unit.
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subroutine, public | helium_io::helium_write_line (line) |
| Writes out a line of text to the default output unit.
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subroutine, public | helium_io::helium_print_energy (helium_env) |
| Print energies according to HELIUMPRINTENERGY.
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subroutine, public | helium_io::helium_print_vector (helium_env, pkey, data, uconv, col_label, cmmnt, fname, fpos, avg) |
| Print a 3D real vector according to printkey <pkey>
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subroutine, public | helium_io::helium_print_accepts (helium_env) |
| Print acceptance counts according to HELIUMPRINTACCEPTS.
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subroutine, public | helium_io::helium_print_perm (helium_env) |
| Print permutation state according to HELIUMPRINTPERM.
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subroutine, public | helium_io::helium_print_action (pint_env, helium_env) |
| Print helium action file to HELIUMPRINTACTION.
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subroutine, public | helium_io::helium_print_coordinates (helium_env) |
| Print coordinates according to HELIUMPRINTCOORDINATES.
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subroutine, public | helium_io::helium_print_rdf (helium_env) |
| Print radial distribution functions according to HELIUMPRINTRDF.
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subroutine, public | helium_io::helium_print_rho (helium_env) |
| Print densities according to HELIUMPRINTRHO.
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subroutine, public | helium_io::helium_write_cubefile (unit, comment, origin, deltar, ndim, data) |
| Write volumetric data to an orthorhombic cubefile.
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subroutine, public | helium_io::helium_print_plength (helium_env) |
| Print permutation length according to HELIUMPRINTPLENGTH.
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subroutine, public | helium_io::helium_print_force (helium_env) |
| Print helium force according to HELIUMPRINTFORCE.
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