Searched refs:sgp_potential_present (Results 1 – 6 of 6) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_neighbor_lists.F | 302 sgp_potential_present, xtb local
436 sgp_potential_present=sgp_potential_present, &
455 IF (gth_potential_present .OR. sgp_potential_present) THEN
465 IF (all_potential_present .OR. sgp_potential_present) THEN
531 IF (gth_potential_present .OR. sgp_potential_present) THEN
561 IF (all_potential_present .OR. sgp_potential_present) THEN
662 IF (gth_potential_present .OR. sgp_potential_present) THEN
703 IF (all_potential_present .OR. sgp_potential_present) THEN
931 IF (gth_potential_present .OR. sgp_potential_present) THEN
938 IF (all_potential_present .OR. sgp_potential_present) THEN
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| H A D | energy_corrections.F | 1659 sgp_potential_present, & local
1684 sgp_potential_present=sgp_potential_present)
1714 IF (gth_potential_present .OR. sgp_potential_present) THEN
1743 IF (gth_potential_present .OR. sgp_potential_present) THEN
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| H A D | qs_kind_types.F | 804 sgp_potential_present, paw_atom_present, dft_plus_u_atom_present, & argument
813 gth_potential_present, sgp_potential_present, paw_atom_present, dft_plus_u_atom_present local
873 IF (PRESENT(sgp_potential_present)) sgp_potential_present = .FALSE.
1117 IF (PRESENT(sgp_potential_present)) THEN
1119 sgp_potential_present = .TRUE.
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_neighbor_lists.F | 303 sgp_potential_present, xtb local
437 sgp_potential_present=sgp_potential_present, &
456 IF (gth_potential_present .OR. sgp_potential_present) THEN
466 IF (all_potential_present .OR. sgp_potential_present) THEN
532 IF (gth_potential_present .OR. sgp_potential_present) THEN
562 IF (all_potential_present .OR. sgp_potential_present) THEN
663 IF (gth_potential_present .OR. sgp_potential_present) THEN
704 IF (all_potential_present .OR. sgp_potential_present) THEN
932 IF (gth_potential_present .OR. sgp_potential_present) THEN
939 IF (all_potential_present .OR. sgp_potential_present) THEN
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| H A D | kg_energy_corrections.F | 837 sgp_potential_present, & local
862 sgp_potential_present=sgp_potential_present)
892 IF (gth_potential_present .OR. sgp_potential_present) THEN
921 IF (gth_potential_present .OR. sgp_potential_present) THEN
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| H A D | qs_kind_types.F | 801 sgp_potential_present, paw_atom_present, dft_plus_u_atom_present, & argument
810 gth_potential_present, sgp_potential_present, paw_atom_present, dft_plus_u_atom_present local
869 IF (PRESENT(sgp_potential_present)) sgp_potential_present = .FALSE.
1095 IF (PRESENT(sgp_potential_present)) THEN
1097 sgp_potential_present = .TRUE.
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