/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/shg_int/ |
H A D | generic_shg_integrals.F | 207 SUBROUTINE int_ra2m_ab_shg(vab, dvab, rab, fba, fbb, scon_ra2m, sconb_shg, & argument 214 REAL(KIND=dp), DIMENSION(:, :, :, :), INTENT(IN) :: scon_ra2m local 230 CALL int_ra2m_ab_shg_low(vab, dvab, rab, fba, fbb, sconb_shg, scon_ra2m, & 673 …SUBROUTINE int_ra2m_ab_shg_low(vab, dvab, rab, fba, fbb, sconb_shg, scon_ra2m, m, Waux_mat, dWaux_… argument 681 REAL(KIND=dp), DIMENSION(:, :, :, :), INTENT(IN) :: scon_ra2m local 752 scon_ra2m(1:npgfa(iset), 1:m + 1, 1:nshella(iset), iset), &
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H A D | s_contract_shg.F | 1022 …SUBROUTINE contract_s_ra2m_ab(npgfa, nshella, scon_ra2m, npgfb, nshellb, sconb, swork, swork_cont,… argument 1026 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: scon_ra2m local 1046 scon_ra2m(1:npgfa, i, 1:nshella), npgfa, 1.0_dp, work_pc, npgfb*nds_max)
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/dports/science/cp2k-data/cp2k-7.1.0/src/shg_int/ |
H A D | generic_shg_integrals.F | 207 SUBROUTINE int_ra2m_ab_shg(vab, dvab, rab, fba, fbb, scon_ra2m, sconb_shg, & argument 214 REAL(KIND=dp), DIMENSION(:, :, :, :), INTENT(IN) :: scon_ra2m local 230 CALL int_ra2m_ab_shg_low(vab, dvab, rab, fba, fbb, sconb_shg, scon_ra2m, & 673 …SUBROUTINE int_ra2m_ab_shg_low(vab, dvab, rab, fba, fbb, sconb_shg, scon_ra2m, m, Waux_mat, dWaux_… argument 681 REAL(KIND=dp), DIMENSION(:, :, :, :), INTENT(IN) :: scon_ra2m local 752 scon_ra2m(1:npgfa(iset), 1:m + 1, 1:nshella(iset), iset), &
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H A D | s_contract_shg.F | 1022 …SUBROUTINE contract_s_ra2m_ab(npgfa, nshella, scon_ra2m, npgfb, nshellb, sconb, swork, swork_cont,… argument 1026 REAL(KIND=dp), DIMENSION(:, :, :), INTENT(IN) :: scon_ra2m local 1046 scon_ra2m(1:npgfa, i, 1:nshella), npgfa, 1.0_dp, work_pc, npgfb*nds_max)
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | shg_integrals_test.F | 614 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: scon_ra2m local 625 CALL contraction_matrix_shg_rx2m(oba, m, scona_shg, scon_ra2m) 632 scon_ra2m, sconb_shg, m, calc_derivatives) 650 DEALLOCATE (scon_ra2m)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | shg_integrals_test.F | 614 REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: scon_ra2m local 625 CALL contraction_matrix_shg_rx2m(oba, m, scona_shg, scon_ra2m) 632 scon_ra2m, sconb_shg, m, calc_derivatives) 650 DEALLOCATE (scon_ra2m)
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