/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | shg_integrals_test.F | 221 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 D | shg_integrals_test.F | 221 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 D | generic_shg_integrals.F | 96 …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 D | s_contract_shg.F | 922 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 D | generic_shg_integrals.F | 96 …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 D | s_contract_shg.F | 922 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
|