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Searched refs:ofgpw (Results 1 – 12 of 12) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_scf_post_scf.F65 ELSEIF (dft_control%qs_control%ofgpw) THEN
H A Dqs_initial_guess.F151 ofgpw local
242 ofgpw = dft_control%qs_control%ofgpw
633 IF (ofgpw .AND. (scf_control%use_ot .OR. scf_env%method == ot_diag_method_nr)) THEN
719 IF (ofgpw .AND. (scf_control%use_ot .OR. scf_env%method == ot_diag_method_nr)) THEN
746 IF (ofgpw) CPABORT("SPARSE_GUESS not implemented for OFGPW")
H A Dcp_control_types.F290 LOGICAL :: ofgpw component
H A Dqs_core_hamiltonian.F201 ofdft = dft_control%qs_control%ofgpw
H A Dqs_environment.F1288 IF (.NOT. dft_control%qs_control%ofgpw .AND. .NOT. dft_control%smear) THEN
1307 IF (dft_control%qs_control%ofgpw) THEN
H A Dcp_control_utils.F779 qs_control%ofgpw = .FALSE.
794 qs_control%ofgpw = .TRUE.
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_scf_post_scf.F65 ELSEIF (dft_control%qs_control%ofgpw) THEN
H A Dqs_initial_guess.F145 natom_mismatch, need_wm, ofgpw local
228 ofgpw = dft_control%qs_control%ofgpw
582 IF (ofgpw .AND. (scf_control%use_ot .OR. scf_env%method == ot_diag_method_nr)) THEN
631 IF (ofgpw .AND. (scf_control%use_ot .OR. scf_env%method == ot_diag_method_nr)) THEN
658 IF (ofgpw) CPABORT("SPARSE_GUESS not implemented for OFGPW")
H A Dqs_core_hamiltonian.F201 ofdft = dft_control%qs_control%ofgpw
H A Dcp_control_types.F289 LOGICAL :: ofgpw component
H A Dqs_environment.F1207 IF (.NOT. dft_control%qs_control%ofgpw .AND. .NOT. dft_control%smear) THEN
1226 IF (dft_control%qs_control%ofgpw) THEN
H A Dcp_control_utils.F769 qs_control%ofgpw = .FALSE.
784 qs_control%ofgpw = .TRUE.