| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | kg_energy_corrections.F | 839 LOGICAL, ALLOCATABLE, DIMENSION(:) :: orb_present, ppl_present, ppnl_present local
865 ALLOCATE (orb_present(nkind), ppl_present(nkind), ppnl_present(nkind))
895 ppl_present=ppl_present(ikind), &
901 ppl_present=ppl_present(ikind), &
906 ppl_present(ikind) = .FALSE.
922 IF (ANY(ppl_present)) THEN
923 CALL pair_radius_setup(orb_present, ppl_present, orb_radius, ppl_radius, pair_radius)
938 DEALLOCATE (orb_present, ppl_present, ppnl_present)
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| H A D | qs_neighbor_lists.F | 305 core_present, default_present, oce_present, orb_present, ppl_present, ppnl_present, & local
457 ALLOCATE (ppl_present(nkind), ppl_radius(nkind))
535 ppl_present=ppl_present(ikind), &
541 ppl_present=ppl_present(ikind), &
546 ppl_present(ikind) = .FALSE.
664 IF (ANY(ppl_present)) THEN
665 CALL pair_radius_setup(orb_present, ppl_present, orb_radius, ppl_radius, pair_radius)
933 DEALLOCATE (ppl_present, ppl_radius)
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| H A D | qs_core_hamiltonian.F | 453 … LOGICAL :: all_present, ppl_present, ppnl_present, & local
509 ppl_present = ASSOCIATED(sac_ppl)
510 IF (ppl_present) THEN
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_neighbor_lists.F | 304 core_present, default_present, oce_present, orb_present, ppl_present, ppnl_present, & local
456 ALLOCATE (ppl_present(nkind), ppl_radius(nkind))
534 ppl_present=ppl_present(ikind), &
540 ppl_present=ppl_present(ikind), &
545 ppl_present(ikind) = .FALSE.
663 IF (ANY(ppl_present)) THEN
664 CALL pair_radius_setup(orb_present, ppl_present, orb_radius, ppl_radius, pair_radius)
932 DEALLOCATE (ppl_present, ppl_radius)
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| H A D | energy_corrections.F | 1661 LOGICAL, ALLOCATABLE, DIMENSION(:) :: orb_present, ppl_present, ppnl_present local
1687 ALLOCATE (orb_present(nkind), ppl_present(nkind), ppnl_present(nkind))
1717 ppl_present=ppl_present(ikind), &
1723 ppl_present=ppl_present(ikind), &
1728 ppl_present(ikind) = .FALSE.
1744 IF (ANY(ppl_present)) THEN
1745 CALL pair_radius_setup(orb_present, ppl_present, orb_radius, ppl_radius, pair_radius)
1760 DEALLOCATE (orb_present, ppl_present, ppnl_present)
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| H A D | qs_core_hamiltonian.F | 451 … LOGICAL :: all_present, ppl_present, ppnl_present, & local
507 ppl_present = ASSOCIATED(sac_ppl)
508 IF (ppl_present) THEN
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| /dports/science/cp2k-data/cp2k-7.1.0/src/subsys/ |
| H A D | external_potential_types.F | 845 ppl_present, ppnl_present, & argument
862 LOGICAL, INTENT(OUT), OPTIONAL :: ppl_present, ppnl_present local
908 IF (PRESENT(ppl_present)) ppl_present = (potential%nexp_ppl > 0)
987 ppl_radius, ppnl_radius, ppl_present, ppnl_present, & argument
1006 LOGICAL, INTENT(OUT), OPTIONAL :: ppl_present, ppnl_present, ecp_local local
1044 IF (PRESENT(ppl_present)) THEN
1045 ppl_present = (potential%nloc > 0 .OR. potential%n_local > 0)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/ |
| H A D | external_potential_types.F | 852 ppl_present, ppnl_present, & argument
869 LOGICAL, INTENT(OUT), OPTIONAL :: ppl_present, ppnl_present local
915 IF (PRESENT(ppl_present)) ppl_present = (potential%nexp_ppl > 0)
994 ppl_radius, ppnl_radius, ppl_present, ppnl_present, & argument
1013 LOGICAL, INTENT(OUT), OPTIONAL :: ppl_present, ppnl_present, ecp_local local
1051 IF (PRESENT(ppl_present)) THEN
1052 ppl_present = (potential%nloc > 0 .OR. potential%n_local > 0)
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