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Searched refs:fist_scale_charge_link (Results 1 – 8 of 8) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqmmm_create.F124 REAL(KIND=dp), DIMENSION(:), POINTER :: fist_scale_charge_link, & local
148 NULLIFY (fist_scale_charge_link, print_section, fist_nonbond_env)
176 fist_scale_charge_link, &
183 qmmm_env_mm%fist_scale_charge_link => fist_scale_charge_link
H A Dqmmm_init.F873 fist_scale_charge_link, qmmm_coupl_type, & argument
879 fist_scale_charge_link local
896 fist_scale_charge_link=fist_scale_charge_link)
1010 … mm_link_atoms, mm_link_scale_factor, qmmm_link, fist_scale_charge_link) argument
1018 REAL(KIND=dp), DIMENSION(:), OPTIONAL, POINTER :: fist_scale_charge_link local
1075 IF (PRESENT(fist_scale_charge_link) .AND. (link_involv_mm /= 0)) &
1076 ALLOCATE (fist_scale_charge_link(link_involv_mm))
1101 … IF (PRESENT(fist_scale_charge_link) .AND. (link_involv_mm /= 0)) fist_scale_charge_link = 0.0_dp
1123 IF (PRESENT(fist_scale_charge_link) .AND. (link_involv_mm /= 0)) THEN
1125 fist_scale_charge_link(ikind) = scale_f
H A Dqmmm_types_low.F248 REAL(KIND=dp), DIMENSION(:), POINTER :: fist_scale_charge_link component
275 qmmm_env%fist_scale_charge_link, &
328 IF (ASSOCIATED(qmmm_env%fist_scale_charge_link)) THEN
329 DEALLOCATE (qmmm_env%fist_scale_charge_link)
H A Dforce_fields_all.F1948 scale_factor = qmmm_env%fist_scale_charge_link(ilink)
2097 scale_factor = qmmm_env%fist_scale_charge_link(ilink)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqmmm_create.F124 REAL(KIND=dp), DIMENSION(:), POINTER :: fist_scale_charge_link, & local
148 NULLIFY (fist_scale_charge_link, print_section, fist_nonbond_env)
176 fist_scale_charge_link, &
183 qmmm_env_mm%fist_scale_charge_link => fist_scale_charge_link
H A Dqmmm_init.F873 fist_scale_charge_link, qmmm_coupl_type, & argument
879 fist_scale_charge_link local
896 fist_scale_charge_link=fist_scale_charge_link)
1010 … mm_link_atoms, mm_link_scale_factor, qmmm_link, fist_scale_charge_link) argument
1018 REAL(KIND=dp), DIMENSION(:), OPTIONAL, POINTER :: fist_scale_charge_link local
1075 IF (PRESENT(fist_scale_charge_link) .AND. (link_involv_mm /= 0)) &
1076 ALLOCATE (fist_scale_charge_link(link_involv_mm))
1101 … IF (PRESENT(fist_scale_charge_link) .AND. (link_involv_mm /= 0)) fist_scale_charge_link = 0.0_dp
1123 IF (PRESENT(fist_scale_charge_link) .AND. (link_involv_mm /= 0)) THEN
1125 fist_scale_charge_link(ikind) = scale_f
H A Dqmmm_types_low.F248 REAL(KIND=dp), DIMENSION(:), POINTER :: fist_scale_charge_link component
275 qmmm_env%fist_scale_charge_link, &
328 IF (ASSOCIATED(qmmm_env%fist_scale_charge_link)) THEN
329 DEALLOCATE (qmmm_env%fist_scale_charge_link)
H A Dforce_fields_all.F1948 scale_factor = qmmm_env%fist_scale_charge_link(ilink)
2097 scale_factor = qmmm_env%fist_scale_charge_link(ilink)