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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