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 D | qmmm_create.F | 124 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
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H A D | qmmm_init.F | 873 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
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H A D | qmmm_types_low.F | 248 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)
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H A D | force_fields_all.F | 1948 scale_factor = qmmm_env%fist_scale_charge_link(ilink) 2097 scale_factor = qmmm_env%fist_scale_charge_link(ilink)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qmmm_create.F | 124 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
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H A D | qmmm_init.F | 873 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
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H A D | qmmm_types_low.F | 248 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)
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H A D | force_fields_all.F | 1948 scale_factor = qmmm_env%fist_scale_charge_link(ilink) 2097 scale_factor = qmmm_env%fist_scale_charge_link(ilink)
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