| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | semi_empirical_integrals.F | 557 SUBROUTINE dcorecore(sepi, sepj, rij, denuc, itype, delta, anag, se_int_control, se_taper) argument
560 REAL(dp), DIMENSION(3), INTENT(OUT) :: denuc local
600 SUBROUTINE dcorecore_el(sepi, sepj, rij, denuc, itype, delta, anag, se_int_control, se_taper) argument
603 REAL(dp), DIMENSION(3), INTENT(OUT) :: denuc local
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| H A D | semi_empirical_int_num.F | 1104 SUBROUTINE dcorecore_num(sepi, sepj, r, denuc, itype, delta, se_int_control, se_taper) argument
1107 REAL(dp), DIMENSION(3), INTENT(OUT) :: denuc local
1141 SUBROUTINE dcorecore_el_num(sepi, sepj, r, denuc, itype, delta, se_int_control, se_taper) argument
1144 REAL(dp), DIMENSION(3), INTENT(OUT) :: denuc local
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| H A D | semi_empirical_int_ana.F | 347 RECURSIVE SUBROUTINE corecore_ana(sepi, sepj, rijv, itype, enuc, denuc, se_int_control, se_taper) argument
352 REAL(dp), DIMENSION(3), INTENT(OUT), OPTIONAL :: denuc local
657 RECURSIVE SUBROUTINE corecore_el_ana(sepi, sepj, rijv, itype, enuc, denuc, & argument
663 REAL(dp), DIMENSION(3), INTENT(OUT), OPTIONAL :: denuc local
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| H A D | semi_empirical_int_debug.F | 507 SUBROUTINE check_dcorecore_ana(sepi, sepj, rijv, itype, se_int_control, se_taper, enuc, denuc) argument
522 OPTIONAL :: denuc local
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| H A D | qmmm_se_forces.F | 284 REAL(KIND=dp), DIMENSION(3) :: denuc, force_ab, r_pbc, rij local
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| H A D | semi_empirical_int_gks.F | 487 SUBROUTINE corecore_gks(sepi, sepj, rijv, enuc, denuc, se_int_control) argument
491 REAL(dp), DIMENSION(3), INTENT(OUT), OPTIONAL :: denuc local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | semi_empirical_integrals.F | 557 SUBROUTINE dcorecore(sepi, sepj, rij, denuc, itype, delta, anag, se_int_control, se_taper) argument
560 REAL(dp), DIMENSION(3), INTENT(OUT) :: denuc local
600 SUBROUTINE dcorecore_el(sepi, sepj, rij, denuc, itype, delta, anag, se_int_control, se_taper) argument
603 REAL(dp), DIMENSION(3), INTENT(OUT) :: denuc local
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| H A D | semi_empirical_int_num.F | 1104 SUBROUTINE dcorecore_num(sepi, sepj, r, denuc, itype, delta, se_int_control, se_taper) argument
1107 REAL(dp), DIMENSION(3), INTENT(OUT) :: denuc local
1141 SUBROUTINE dcorecore_el_num(sepi, sepj, r, denuc, itype, delta, se_int_control, se_taper) argument
1144 REAL(dp), DIMENSION(3), INTENT(OUT) :: denuc local
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| H A D | semi_empirical_int_ana.F | 347 RECURSIVE SUBROUTINE corecore_ana(sepi, sepj, rijv, itype, enuc, denuc, se_int_control, se_taper) argument
352 REAL(dp), DIMENSION(3), INTENT(OUT), OPTIONAL :: denuc local
657 RECURSIVE SUBROUTINE corecore_el_ana(sepi, sepj, rijv, itype, enuc, denuc, & argument
663 REAL(dp), DIMENSION(3), INTENT(OUT), OPTIONAL :: denuc local
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| H A D | semi_empirical_int_debug.F | 507 SUBROUTINE check_dcorecore_ana(sepi, sepj, rijv, itype, se_int_control, se_taper, enuc, denuc) argument
522 OPTIONAL :: denuc local
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| H A D | qmmm_se_forces.F | 284 REAL(KIND=dp), DIMENSION(3) :: denuc, force_ab, r_pbc, rij local
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| H A D | semi_empirical_int_gks.F | 487 SUBROUTINE corecore_gks(sepi, sepj, rijv, enuc, denuc, se_int_control) argument
491 REAL(dp), DIMENSION(3), INTENT(OUT), OPTIONAL :: denuc local
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