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Searched defs:sconb_shg (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dshg_integrals_test.F221 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: scona_shg, sconb_shg local
341 SUBROUTINE test_shg_operator12_integrals(oba, obb, rab, nrep, scona_shg, sconb_shg, & argument
347 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: scona_shg, sconb_shg local
512 SUBROUTINE test_shg_overlap_integrals(oba, obb, rab, nrep, scona_shg, sconb_shg, & argument
518 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: scona_shg, sconb_shg local
593 SUBROUTINE test_shg_ra2m_integrals(oba, obb, rab, nrep, scona_shg, sconb_shg, & argument
599 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: scona_shg, sconb_shg local
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dshg_integrals_test.F221 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: scona_shg, sconb_shg local
341 SUBROUTINE test_shg_operator12_integrals(oba, obb, rab, nrep, scona_shg, sconb_shg, & argument
347 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: scona_shg, sconb_shg local
512 SUBROUTINE test_shg_overlap_integrals(oba, obb, rab, nrep, scona_shg, sconb_shg, & argument
518 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: scona_shg, sconb_shg local
593 SUBROUTINE test_shg_ra2m_integrals(oba, obb, rab, nrep, scona_shg, sconb_shg, & argument
599 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: scona_shg, sconb_shg local
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/shg_int/
H A Dgeneric_shg_integrals.F96 …SUBROUTINE int_operators_r12_ab_shg(r12_operator, vab, dvab, rab, fba, fbb, scona_shg, sconb_shg, & argument
105 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: scona_shg, sconb_shg local
164 SUBROUTINE int_overlap_ab_shg(vab, dvab, rab, fba, fbb, scona_shg, sconb_shg, & argument
173 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: scona_shg, sconb_shg local
207 SUBROUTINE int_ra2m_ab_shg(vab, dvab, rab, fba, fbb, scon_ra2m, sconb_shg, & argument
215 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: sconb_shg local
425 …SUBROUTINE int_operator_ab_shg_low(s_operator_ab, vab, dvab, rab, fba, fbb, scona_shg, sconb_shg, & argument
433 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(INOUT) :: scona_shg, sconb_shg local
542 …SUBROUTINE int_overlap_ab_shg_low(sab, dsab, rab, fba, fbb, scona_shg, sconb_shg, Waux_mat, dWaux_… argument
551 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: scona_shg, sconb_shg, Waux_mat local
[all …]
H A Ds_contract_shg.F922 SUBROUTINE contract_sint_ab_clow(la, npgfa, nshella, scona_shg, lb, npgfb, nshellb, sconb_shg, & argument
930 REAL(KIND=dp), DIMENSION(:, :), INTENT(IN) :: sconb_shg local
1168 SUBROUTINE contract_s_overlap_aba(la, npgfa, nshella, lb, npgfb, nshellb, sconb_shg, & argument
1176 REAL(KIND=dp), DIMENSION(:, :), INTENT(IN) :: sconb_shg local
/dports/science/cp2k-data/cp2k-7.1.0/src/shg_int/
H A Dgeneric_shg_integrals.F96 …SUBROUTINE int_operators_r12_ab_shg(r12_operator, vab, dvab, rab, fba, fbb, scona_shg, sconb_shg, & argument
105 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: scona_shg, sconb_shg local
164 SUBROUTINE int_overlap_ab_shg(vab, dvab, rab, fba, fbb, scona_shg, sconb_shg, & argument
173 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: scona_shg, sconb_shg local
207 SUBROUTINE int_ra2m_ab_shg(vab, dvab, rab, fba, fbb, scon_ra2m, sconb_shg, & argument
215 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: sconb_shg local
425 …SUBROUTINE int_operator_ab_shg_low(s_operator_ab, vab, dvab, rab, fba, fbb, scona_shg, sconb_shg, & argument
433 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(INOUT) :: scona_shg, sconb_shg local
542 …SUBROUTINE int_overlap_ab_shg_low(sab, dsab, rab, fba, fbb, scona_shg, sconb_shg, Waux_mat, dWaux_… argument
551 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: scona_shg, sconb_shg, Waux_mat local
[all …]
H A Ds_contract_shg.F922 SUBROUTINE contract_sint_ab_clow(la, npgfa, nshella, scona_shg, lb, npgfb, nshellb, sconb_shg, & argument
930 REAL(KIND=dp), DIMENSION(:, :), INTENT(IN) :: sconb_shg local
1168 SUBROUTINE contract_s_overlap_aba(la, npgfa, nshella, lb, npgfb, nshellb, sconb_shg, & argument
1176 REAL(KIND=dp), DIMENSION(:, :), INTENT(IN) :: sconb_shg local