Searched refs:mm_link_scale_factor (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qmmm_create.F | 125 mm_link_scale_factor local 147 NULLIFY (mm_link_atoms, mm_link_scale_factor, qmmm_links, added_charges, added_shells) 175 mm_link_scale_factor, & 182 qmmm_env_mm%mm_link_scale_factor => mm_link_scale_factor 305 mm_link_scale_factor=mm_link_scale_factor, &
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H A D | qmmm_init.F | 118 REAL(dp), DIMENSION(:), POINTER :: mm_link_scale_factor local 190 mm_atom_chrg(i) = mm_atom_chrg(i)*mm_link_scale_factor(ilink) 872 mm_link_atoms, mm_link_scale_factor, & argument 878 REAL(KIND=dp), DIMENSION(:), POINTER :: mm_link_scale_factor, & local 895 … mm_link_atoms=mm_link_atoms, mm_link_scale_factor=mm_link_scale_factor, & 1016 REAL(KIND=dp), DIMENSION(:), OPTIONAL, POINTER :: mm_link_scale_factor local 1073 IF (PRESENT(mm_link_scale_factor) .AND. (link_involv_mm /= 0)) & 1074 ALLOCATE (mm_link_scale_factor(link_involv_mm)) 1100 IF (PRESENT(mm_link_scale_factor) .AND. (link_involv_mm /= 0)) mm_link_scale_factor = 0.0_dp 1119 IF (PRESENT(mm_link_scale_factor) .AND. (link_involv_mm /= 0)) THEN [all …]
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H A D | qmmm_types_low.F | 247 REAL(KIND=dp), DIMENSION(:), POINTER :: mm_link_scale_factor component 274 qmmm_env%mm_link_scale_factor, & 325 IF (ASSOCIATED(qmmm_env%mm_link_scale_factor)) THEN 326 DEALLOCATE (qmmm_env%mm_link_scale_factor)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qmmm_create.F | 125 mm_link_scale_factor local 147 NULLIFY (mm_link_atoms, mm_link_scale_factor, qmmm_links, added_charges, added_shells) 175 mm_link_scale_factor, & 182 qmmm_env_mm%mm_link_scale_factor => mm_link_scale_factor 305 mm_link_scale_factor=mm_link_scale_factor, &
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H A D | qmmm_init.F | 118 REAL(dp), DIMENSION(:), POINTER :: mm_link_scale_factor local 190 mm_atom_chrg(i) = mm_atom_chrg(i)*mm_link_scale_factor(ilink) 872 mm_link_atoms, mm_link_scale_factor, & argument 878 REAL(KIND=dp), DIMENSION(:), POINTER :: mm_link_scale_factor, & local 895 … mm_link_atoms=mm_link_atoms, mm_link_scale_factor=mm_link_scale_factor, & 1016 REAL(KIND=dp), DIMENSION(:), OPTIONAL, POINTER :: mm_link_scale_factor local 1073 IF (PRESENT(mm_link_scale_factor) .AND. (link_involv_mm /= 0)) & 1074 ALLOCATE (mm_link_scale_factor(link_involv_mm)) 1100 IF (PRESENT(mm_link_scale_factor) .AND. (link_involv_mm /= 0)) mm_link_scale_factor = 0.0_dp 1119 IF (PRESENT(mm_link_scale_factor) .AND. (link_involv_mm /= 0)) THEN [all …]
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H A D | qmmm_types_low.F | 247 REAL(KIND=dp), DIMENSION(:), POINTER :: mm_link_scale_factor component 274 qmmm_env%mm_link_scale_factor, & 325 IF (ASSOCIATED(qmmm_env%mm_link_scale_factor)) THEN 326 DEALLOCATE (qmmm_env%mm_link_scale_factor)
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