Searched refs:forces_up_to_date (Results 1 – 8 of 8) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_ks_types.F | 143 forces_up_to_date = .FALSE. component
348 potential_changed, forces_up_to_date, & argument
373 potential_changed, forces_up_to_date local
433 IF (PRESENT(forces_up_to_date)) forces_up_to_date = ks_env%forces_up_to_date
605 potential_changed, forces_up_to_date, & argument
624 potential_changed, forces_up_to_date local
657 IF (PRESENT(forces_up_to_date)) ks_env%forces_up_to_date = forces_up_to_date
659 ks_env%forces_up_to_date = .FALSE.
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| H A D | qs_ks_methods.F | 1078 forces_up_to_date, potential_changed, & local
1103 forces_up_to_date=forces_up_to_date)
1109 do_rebuild = do_rebuild .OR. (c_forces .AND. .NOT. forces_up_to_date)
1126 forces_up_to_date=forces_up_to_date .OR. c_forces)
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| H A D | qs_environment_types.F | 517 … s_mstruct_changed, rho_changed, potential_changed, forces_up_to_date, mscfg_env, almo_scf_env, &
643 potential_changed, forces_up_to_date local
761 forces_up_to_date=forces_up_to_date, &
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| H A D | qs_basis_gradient.F | 181 CALL set_ks_env(ks_env, forces_up_to_date=.FALSE.)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_ks_types.F | 143 forces_up_to_date = .FALSE. component
348 potential_changed, forces_up_to_date, & argument
373 potential_changed, forces_up_to_date local
433 IF (PRESENT(forces_up_to_date)) forces_up_to_date = ks_env%forces_up_to_date
605 potential_changed, forces_up_to_date, & argument
624 potential_changed, forces_up_to_date local
657 IF (PRESENT(forces_up_to_date)) ks_env%forces_up_to_date = forces_up_to_date
659 ks_env%forces_up_to_date = .FALSE.
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| H A D | qs_ks_methods.F | 1098 forces_up_to_date, potential_changed, & local
1123 forces_up_to_date=forces_up_to_date)
1129 do_rebuild = do_rebuild .OR. (c_forces .AND. .NOT. forces_up_to_date)
1146 forces_up_to_date=forces_up_to_date .OR. c_forces)
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| H A D | qs_environment_types.F | 529 … s_mstruct_changed, rho_changed, potential_changed, forces_up_to_date, mscfg_env, almo_scf_env, &
657 potential_changed, forces_up_to_date local
781 forces_up_to_date=forces_up_to_date, &
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| H A D | qs_basis_gradient.F | 181 CALL set_ks_env(ks_env, forces_up_to_date=.FALSE.)
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