Home
last modified time | relevance | path

Searched refs:scon_ra2m (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/shg_int/
H A Dgeneric_shg_integrals.F207 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), &
H A Ds_contract_shg.F1022 …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)
/dports/science/cp2k-data/cp2k-7.1.0/src/shg_int/
H A Dgeneric_shg_integrals.F207 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), &
H A Ds_contract_shg.F1022 …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)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dshg_integrals_test.F614 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)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dshg_integrals_test.F614 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)