/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | eip_environment_types.F | 125 SUBROUTINE eip_env_retain(eip_env) argument 127 TYPE(eip_environment_type), POINTER :: eip_env local 145 SUBROUTINE eip_env_release(eip_env) argument 147 TYPE(eip_environment_type), POINTER :: eip_env local 217 SUBROUTINE eip_env_get(eip_env, id_nr, eip_model, eip_energy, eip_energy_var, & argument 225 TYPE(eip_environment_type), POINTER :: eip_env local 336 TYPE(eip_environment_type), POINTER :: eip_env local 434 SUBROUTINE eip_env_clear(eip_env) argument 436 TYPE(eip_environment_type), POINTER :: eip_env local 476 SUBROUTINE eip_env_create(eip_env) argument [all …]
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H A D | eip_environment.F | 69 SUBROUTINE eip_init(eip_env, root_section, para_env, force_env_section, & argument 71 TYPE(eip_environment_type), POINTER :: eip_env local 134 SUBROUTINE eip_init_subsys(eip_env, subsys, cell, cell_ref, use_ref_cell, subsys_section) argument 135 TYPE(eip_environment_type), POINTER :: eip_env local 211 SUBROUTINE eip_init_model(eip_env) argument 212 TYPE(eip_environment_type), POINTER :: eip_env local
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H A D | eip_silicon.F | 73 SUBROUTINE eip_bazant(eip_env) argument 74 TYPE(eip_environment_type), POINTER :: eip_env local 239 SUBROUTINE eip_lenosky(eip_env) argument 240 TYPE(eip_environment_type), POINTER :: eip_env local 404 SUBROUTINE eip_print_energies(eip_env, output_unit) argument 405 TYPE(eip_environment_type), POINTER :: eip_env local 430 SUBROUTINE eip_print_energy_var(eip_env, output_unit) argument 462 SUBROUTINE eip_print_forces(eip_env, output_unit) argument 504 SUBROUTINE eip_print_coord_avg(eip_env, output_unit) argument 536 SUBROUTINE eip_print_coord_var(eip_env, output_unit) argument [all …]
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H A D | force_env_types.F | 142 TYPE(eip_environment_type), POINTER :: eip_env component 305 … qmmm_env, qmmmx_env, eip_env, pwdft_env, globenv, input, force_env_section, & argument 323 TYPE(eip_environment_type), OPTIONAL, POINTER :: eip_env local
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H A D | force_env_methods.F | 753 … qs_env, meta_env, sub_force_env, qmmm_env, qmmmx_env, eip_env, pwdft_env, force_env_section, & argument 767 TYPE(eip_environment_type), OPTIONAL, POINTER :: eip_env local
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H A D | f77_interface.F | 574 TYPE(eip_environment_type), POINTER :: eip_env local
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | eip_environment_types.F | 125 SUBROUTINE eip_env_retain(eip_env) argument 127 TYPE(eip_environment_type), POINTER :: eip_env local 145 SUBROUTINE eip_env_release(eip_env) argument 147 TYPE(eip_environment_type), POINTER :: eip_env local 217 SUBROUTINE eip_env_get(eip_env, id_nr, eip_model, eip_energy, eip_energy_var, & argument 225 TYPE(eip_environment_type), POINTER :: eip_env local 336 TYPE(eip_environment_type), POINTER :: eip_env local 434 SUBROUTINE eip_env_clear(eip_env) argument 436 TYPE(eip_environment_type), POINTER :: eip_env local 476 SUBROUTINE eip_env_create(eip_env) argument [all …]
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H A D | eip_environment.F | 69 SUBROUTINE eip_init(eip_env, root_section, para_env, force_env_section, & argument 71 TYPE(eip_environment_type), POINTER :: eip_env local 134 SUBROUTINE eip_init_subsys(eip_env, subsys, cell, cell_ref, use_ref_cell, subsys_section) argument 135 TYPE(eip_environment_type), POINTER :: eip_env local 211 SUBROUTINE eip_init_model(eip_env) argument 212 TYPE(eip_environment_type), POINTER :: eip_env local
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H A D | eip_silicon.F | 73 SUBROUTINE eip_bazant(eip_env) argument 74 TYPE(eip_environment_type), POINTER :: eip_env local 239 SUBROUTINE eip_lenosky(eip_env) argument 240 TYPE(eip_environment_type), POINTER :: eip_env local 404 SUBROUTINE eip_print_energies(eip_env, output_unit) argument 405 TYPE(eip_environment_type), POINTER :: eip_env local 430 SUBROUTINE eip_print_energy_var(eip_env, output_unit) argument 462 SUBROUTINE eip_print_forces(eip_env, output_unit) argument 504 SUBROUTINE eip_print_coord_avg(eip_env, output_unit) argument 536 SUBROUTINE eip_print_coord_var(eip_env, output_unit) argument [all …]
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H A D | force_env_types.F | 142 TYPE(eip_environment_type), POINTER :: eip_env component 305 … qmmm_env, qmmmx_env, eip_env, pwdft_env, globenv, input, force_env_section, & argument 323 TYPE(eip_environment_type), OPTIONAL, POINTER :: eip_env local
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H A D | force_env_methods.F | 715 … qs_env, meta_env, sub_force_env, qmmm_env, qmmmx_env, eip_env, pwdft_env, force_env_section, & argument 729 TYPE(eip_environment_type), OPTIONAL, POINTER :: eip_env local
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H A D | f77_interface.F | 576 TYPE(eip_environment_type), POINTER :: eip_env local
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