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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 Dqmmm_create.F125 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, &
H A Dqmmm_init.F118 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 …]
H A Dqmmm_types_low.F247 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)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqmmm_create.F125 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, &
H A Dqmmm_init.F118 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 …]
H A Dqmmm_types_low.F247 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)