/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_linres_epr_utils.F | 82 SUBROUTINE epr_env_init(epr_env, qs_env) argument 84 TYPE(epr_env_type) :: epr_env local 239 SUBROUTINE epr_env_cleanup(epr_env) argument 241 TYPE(epr_env_type) :: epr_env local
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H A D | qs_linres_epr_ownutils.F | 100 SUBROUTINE epr_g_print(epr_env, qs_env) argument 102 TYPE(epr_env_type) :: epr_env local 224 SUBROUTINE epr_g_zke(epr_env, qs_env) argument 226 TYPE(epr_env_type) :: epr_env local 283 SUBROUTINE epr_g_so(epr_env, current_env, qs_env, iB) argument 285 TYPE(epr_env_type) :: epr_env local 552 SUBROUTINE epr_g_soo(epr_env, current_env, qs_env, iB) argument 554 TYPE(epr_env_type) :: epr_env local 778 SUBROUTINE epr_ind_magnetic_field(epr_env, current_env, qs_env, iB) argument 780 TYPE(epr_env_type) :: epr_env local
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H A D | qs_linres_epr_nablavks.F | 106 SUBROUTINE epr_nablavks(epr_env, qs_env) argument 108 TYPE(epr_env_type) :: epr_env local
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H A D | qs_linres_types.F | 405 SUBROUTINE epr_env_create(epr_env) argument 407 TYPE(epr_env_type) :: epr_env local 708 SUBROUTINE get_epr_env(epr_env, g_total, g_so, g_soo, nablavks_set, nablavks_atom_set, & argument 711 TYPE(epr_env_type) :: epr_env local 748 SUBROUTINE set_epr_env(epr_env, g_free_factor, g_soo_chicorr_factor, & argument 752 TYPE(epr_env_type) :: epr_env local
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H A D | qs_linres_module.F | 404 TYPE(epr_env_type) :: epr_env local
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_linres_epr_utils.F | 82 SUBROUTINE epr_env_init(epr_env, qs_env) argument 84 TYPE(epr_env_type) :: epr_env local 239 SUBROUTINE epr_env_cleanup(epr_env) argument 241 TYPE(epr_env_type) :: epr_env local
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H A D | qs_linres_epr_ownutils.F | 100 SUBROUTINE epr_g_print(epr_env, qs_env) argument 102 TYPE(epr_env_type) :: epr_env local 224 SUBROUTINE epr_g_zke(epr_env, qs_env) argument 226 TYPE(epr_env_type) :: epr_env local 283 SUBROUTINE epr_g_so(epr_env, current_env, qs_env, iB) argument 285 TYPE(epr_env_type) :: epr_env local 552 SUBROUTINE epr_g_soo(epr_env, current_env, qs_env, iB) argument 554 TYPE(epr_env_type) :: epr_env local 778 SUBROUTINE epr_ind_magnetic_field(epr_env, current_env, qs_env, iB) argument 780 TYPE(epr_env_type) :: epr_env local
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H A D | qs_linres_epr_nablavks.F | 108 SUBROUTINE epr_nablavks(epr_env, qs_env) argument 110 TYPE(epr_env_type) :: epr_env local
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H A D | qs_linres_types.F | 405 SUBROUTINE epr_env_create(epr_env) argument 407 TYPE(epr_env_type) :: epr_env local 708 SUBROUTINE get_epr_env(epr_env, g_total, g_so, g_soo, nablavks_set, nablavks_atom_set, & argument 711 TYPE(epr_env_type) :: epr_env local 748 SUBROUTINE set_epr_env(epr_env, g_free_factor, g_soo_chicorr_factor, & argument 752 TYPE(epr_env_type) :: epr_env local
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H A D | qs_linres_module.F | 404 TYPE(epr_env_type) :: epr_env local
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