| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | core_ppl.F | 117 LOGICAL :: dokp, ecp_local, found, lpotextended local
367 … CALL get_potential(potential=sgp_potential, ecp_local=ecp_local, ppl_radius=ppl_radius)
368 IF (ecp_local) THEN
586 LOGICAL :: ecp_local, lpotextended local
710 CALL get_potential(potential=sgp_potential, ecp_local=ecp_local, ppl_radius=ppl_radius)
711 IF (ecp_local) THEN
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| H A D | qs_interactions.F | 84 LOGICAL :: ecp_local, llsd, lpot, paw_atom local
252 CALL get_potential(potential=sgp_potential, ecp_local=ecp_local)
253 IF (ecp_local) THEN
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| H A D | qs_neighbor_lists.F | 568 IF (sgp_potential%ecp_local) THEN
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| H A D | qs_kind_types.F | 2210 zeff=ecppot%zion, z=z, ecp_local=.TRUE., &
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | core_ppl.F | 114 LOGICAL :: dokp, ecp_local, found, lpotextended local
347 … CALL get_potential(potential=sgp_potential, ecp_local=ecp_local, ppl_radius=ppl_radius)
348 IF (ecp_local) THEN
549 LOGICAL :: ecp_local, lpotextended local
661 CALL get_potential(potential=sgp_potential, ecp_local=ecp_local, ppl_radius=ppl_radius)
662 IF (ecp_local) THEN
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| H A D | qs_interactions.F | 87 LOGICAL :: ecp_local, llsd, lpot, paw_atom local
253 CALL get_potential(potential=sgp_potential, ecp_local=ecp_local)
254 IF (ecp_local) THEN
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| H A D | qs_neighbor_lists.F | 569 IF (sgp_potential%ecp_local) THEN
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| H A D | qs_kind_types.F | 2223 zeff=ecppot%zion, z=z, ecp_local=.TRUE., &
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/src/ |
| H A D | dump_info.F90 | 467 subroutine dump_ecp(ecp_local, idx_ecp, coord_ecp, core_angl, num_gauss, & argument
471 logical, intent(in) :: ecp_local local
492 if (ecp_local) then
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| /dports/science/cp2k-data/cp2k-7.1.0/src/subsys/ |
| H A D | external_potential_types.F | 179 LOGICAL :: ecp_local component
458 potential%ecp_local = .FALSE.
988 ecp_local, n_local, a_local, c_local, & argument
1006 LOGICAL, INTENT(OUT), OPTIONAL :: ppl_present, ppnl_present, ecp_local local
1051 IF (PRESENT(ecp_local)) ecp_local = potential%ecp_local
2730 ecp_local, n_local, a_local, c_local, & argument
2748 LOGICAL, INTENT(IN), OPTIONAL :: ecp_local local
2791 IF (PRESENT(ecp_local)) potential%ecp_local = ecp_local
2971 IF (potential%ecp_local) THEN
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/ |
| H A D | external_potential_types.F | 179 LOGICAL :: ecp_local component
465 potential%ecp_local = .FALSE.
995 ecp_local, n_local, a_local, c_local, & argument
1013 LOGICAL, INTENT(OUT), OPTIONAL :: ppl_present, ppnl_present, ecp_local local
1058 IF (PRESENT(ecp_local)) ecp_local = potential%ecp_local
2738 ecp_local, n_local, a_local, c_local, & argument
2756 LOGICAL, INTENT(IN), OPTIONAL :: ecp_local local
2799 IF (PRESENT(ecp_local)) potential%ecp_local = ecp_local
2979 IF (potential%ecp_local) THEN
3200 pot_out%ecp_local = pot_in%ecp_local
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