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Searched defs:epr_env (Results 1 – 10 of 10) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_linres_epr_utils.F82 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
H A Dqs_linres_epr_ownutils.F100 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
H A Dqs_linres_epr_nablavks.F106 SUBROUTINE epr_nablavks(epr_env, qs_env) argument
108 TYPE(epr_env_type) :: epr_env local
H A Dqs_linres_types.F405 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
H A Dqs_linres_module.F404 TYPE(epr_env_type) :: epr_env local
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_linres_epr_utils.F82 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
H A Dqs_linres_epr_ownutils.F100 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
H A Dqs_linres_epr_nablavks.F108 SUBROUTINE epr_nablavks(epr_env, qs_env) argument
110 TYPE(epr_env_type) :: epr_env local
H A Dqs_linres_types.F405 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
H A Dqs_linres_module.F404 TYPE(epr_env_type) :: epr_env local