| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | semi_empirical_integrals.F | 514 SUBROUTINE drotnuc(sepi, sepj, rij, de1b, de2a, itype, delta, anag, se_int_control, se_taper) argument
517 REAL(dp), DIMENSION(3, 45), INTENT(OUT), OPTIONAL :: de1b, de2a local
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| H A D | semi_empirical_int_debug.F | 402 …BROUTINE check_drotnuc_ana(sepi, sepj, rijv, itype, se_int_control, se_taper, e1b, e2a, de1b, de2a) argument
420 INTENT(IN), OPTIONAL :: de1b, de2a local
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| H A D | semi_empirical_int_num.F | 1053 SUBROUTINE drotnuc_num(sepi, sepj, r, de1b, de2a, itype, delta, se_int_control, se_taper) argument
1056 REAL(dp), DIMENSION(3, 45), INTENT(OUT), OPTIONAL :: de1b, de2a local
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| H A D | semi_empirical_int_ana.F | 87 RECURSIVE SUBROUTINE rotnuc_ana(sepi, sepj, rijv, itype, e1b, e2a, de1b, de2a, & argument
93 REAL(dp), DIMENSION(3, 45), INTENT(OUT), OPTIONAL :: de1b, de2a local
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| H A D | semi_empirical_int_gks.F | 157 SUBROUTINE drotnuc_gks(sepi, sepj, rij, de1b, de2a, se_int_control) argument
160 REAL(dp), DIMENSION(3, 45), INTENT(OUT), OPTIONAL :: de1b, de2a local
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| H A D | se_fock_matrix_integrals.F | 161 REAL(KIND=dp), DIMENSION(3, 45) :: de1b, de2a local
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | semi_empirical_integrals.F | 514 SUBROUTINE drotnuc(sepi, sepj, rij, de1b, de2a, itype, delta, anag, se_int_control, se_taper) argument
517 REAL(dp), DIMENSION(3, 45), INTENT(OUT), OPTIONAL :: de1b, de2a local
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| H A D | semi_empirical_int_debug.F | 402 …BROUTINE check_drotnuc_ana(sepi, sepj, rijv, itype, se_int_control, se_taper, e1b, e2a, de1b, de2a) argument
420 INTENT(IN), OPTIONAL :: de1b, de2a local
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| H A D | semi_empirical_int_num.F | 1053 SUBROUTINE drotnuc_num(sepi, sepj, r, de1b, de2a, itype, delta, se_int_control, se_taper) argument
1056 REAL(dp), DIMENSION(3, 45), INTENT(OUT), OPTIONAL :: de1b, de2a local
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| H A D | semi_empirical_int_ana.F | 87 RECURSIVE SUBROUTINE rotnuc_ana(sepi, sepj, rijv, itype, e1b, e2a, de1b, de2a, & argument
93 REAL(dp), DIMENSION(3, 45), INTENT(OUT), OPTIONAL :: de1b, de2a local
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| H A D | semi_empirical_int_gks.F | 157 SUBROUTINE drotnuc_gks(sepi, sepj, rij, de1b, de2a, se_int_control) argument
160 REAL(dp), DIMENSION(3, 45), INTENT(OUT), OPTIONAL :: de1b, de2a local
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| H A D | se_fock_matrix_integrals.F | 161 REAL(KIND=dp), DIMENSION(3, 45) :: de1b, de2a local
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| /dports/science/quantum-espresso/q-e-qe-6.7.0/Modules/ |
| H A D | correlation_lda_lsda.f90 | 968 REAL(DP) :: ra,rb,rm3,dr,e1,or,dor,e2,de1a,de1b,de2a,de2b local
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