/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | lri_integrals.F | 129 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: scon_fba, scon_fbb, scon_oba, scon_obb local 145 scon_obb => lri_env%bas_prop(jkind)%scon_orb 170 scon_obb, scona_mix, oba_index, fba_index, & 289 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: scon_fba, scon_fbb, scon_oba, scon_obb local 304 scon_obb => lri_env%bas_prop(jkind)%scon_orb 329 scon_obb, scona_mix, oba_index, fba_index, & 499 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: scon_fba, scon_fbb, scon_oba, scon_obb local 503 NULLIFY (scon_oba, scon_obb, scon_fba, scon_fbb, scona_mix, sconb_mix, & 532 scon_obb => lri_env%bas_prop(jkind)%scon_orb 547 CALL int_overlap_ab_shg_low(lrii%soo, lrii%dsoo, rab, obasa, obasb, scon_oba, scon_obb, & [all …]
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H A D | shg_integrals_test.F | 671 SUBROUTINE test_shg_overlap_aba_integrals(oba, obb, fba, fbb, rab, nrep, scon_oba, scon_obb, & argument 677 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: scon_oba, scon_obb local 747 scon_obb, scona_mix, oba_index, fba_index, &
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | lri_integrals.F | 129 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: scon_fba, scon_fbb, scon_oba, scon_obb local 145 scon_obb => lri_env%bas_prop(jkind)%scon_orb 170 scon_obb, scona_mix, oba_index, fba_index, & 289 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: scon_fba, scon_fbb, scon_oba, scon_obb local 304 scon_obb => lri_env%bas_prop(jkind)%scon_orb 329 scon_obb, scona_mix, oba_index, fba_index, & 499 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: scon_fba, scon_fbb, scon_oba, scon_obb local 503 NULLIFY (scon_oba, scon_obb, scon_fba, scon_fbb, scona_mix, sconb_mix, & 532 scon_obb => lri_env%bas_prop(jkind)%scon_orb 547 CALL int_overlap_ab_shg_low(lrii%soo, lrii%dsoo, rab, obasa, obasb, scon_oba, scon_obb, & [all …]
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H A D | shg_integrals_test.F | 671 SUBROUTINE test_shg_overlap_aba_integrals(oba, obb, fba, fbb, rab, nrep, scon_oba, scon_obb, & argument 677 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: scon_oba, scon_obb local 747 scon_obb, scona_mix, oba_index, fba_index, &
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/shg_int/ |
H A D | generic_shg_integrals.F | 254 SUBROUTINE int_overlap_aba_shg(saba, dsaba, rab, oba, obb, fba, scon_obb, & argument 265 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: scon_obb local 288 scon_obb, scona_mix, oba_index, fba_index, & 1105 SUBROUTINE int_overlap_aba_shg_low(abaint, dabdaint, rab, oba, obb, fba, scon_obb, scona_mix, & argument 1115 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: scon_obb local 1224 scon_obb(1:npgfb(jset), 1:nshellb(jset), jset), &
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/dports/science/cp2k-data/cp2k-7.1.0/src/shg_int/ |
H A D | generic_shg_integrals.F | 254 SUBROUTINE int_overlap_aba_shg(saba, dsaba, rab, oba, obb, fba, scon_obb, & argument 265 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: scon_obb local 288 scon_obb, scona_mix, oba_index, fba_index, & 1105 SUBROUTINE int_overlap_aba_shg_low(abaint, dabdaint, rab, oba, obb, fba, scon_obb, scona_mix, & argument 1115 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: scon_obb local 1224 scon_obb(1:npgfb(jset), 1:nshellb(jset), jset), &
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