| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_interactions.F | 88 cval, ppl_radius, ppnl_radius, rcprj, zeta local
343 rcprj = 0.0_dp
351 rcprj = MAX(rcprj, rzetprj(ip, lprj))
356 rcprj=rcprj)
904 REAL(KIND=dp) :: conv, rcprj local
925 rcprj=rcprj)
927 ikind, name, rcprj*conv
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| H A D | paw_proj_set_types.F | 59 REAL(dp) :: rcprj component
810 rcprj, rzetprj, zisomin, zetprj) argument
818 REAL(dp), INTENT(OUT), OPTIONAL :: rcprj local
841 IF (PRESENT(rcprj)) rcprj = paw_proj_set%rcprj
861 SUBROUTINE set_paw_proj_set(paw_proj_set, rzetprj, rcprj) argument
865 REAL(dp), INTENT(IN), OPTIONAL :: rcprj local
872 IF (PRESENT(rcprj)) paw_proj_set%rcprj = rcprj
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| H A D | qs_oce_methods.F | 115 … nprj=nprjla, ncgauprj=np_car, nsgauprj=np_sph, nsatbas=nsatbas, rcprj=rcprja, &
379 REAL(KIND=dp) :: dab, rcprj local
522 rcprj=rcprj, &
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| H A D | qs_neighbor_lists.F | 554 CALL get_paw_proj_set(paw_proj_set=paw_proj, rcprj=oce_radius(ikind))
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| H A D | admm_methods.F | 401 CALL get_paw_proj_set(paw_proj, rcprj=oce_radius(ikind))
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_interactions.F | 91 cval, ppl_radius, ppnl_radius, rcprj, zeta local
344 rcprj = 0.0_dp
352 rcprj = MAX(rcprj, rzetprj(ip, lprj))
357 rcprj=rcprj)
907 REAL(KIND=dp) :: conv, rcprj local
928 rcprj=rcprj)
930 ikind, name, rcprj*conv
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| H A D | paw_proj_set_types.F | 59 REAL(dp) :: rcprj component
808 rcprj, rzetprj, zisomin, zetprj) argument
816 REAL(dp), INTENT(OUT), OPTIONAL :: rcprj local
839 IF (PRESENT(rcprj)) rcprj = paw_proj_set%rcprj
859 SUBROUTINE set_paw_proj_set(paw_proj_set, rzetprj, rcprj) argument
863 REAL(dp), INTENT(IN), OPTIONAL :: rcprj local
870 IF (PRESENT(rcprj)) paw_proj_set%rcprj = rcprj
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| H A D | qs_oce_methods.F | 120 … nprj=nprjla, ncgauprj=np_car, nsgauprj=np_sph, nsatbas=nsatbas, rcprj=rcprja, &
374 REAL(KIND=dp) :: dab, rcprj local
467 rcprj=rcprj, &
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| H A D | qs_neighbor_lists.F | 555 CALL get_paw_proj_set(paw_proj_set=paw_proj, rcprj=oce_radius(ikind))
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