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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/shg_int/
H A Dconstruct_shg.F493 SUBROUTINE construct_int_shg_ab(la, first_sgfa, nshella, lb, first_sgfb, nshellb, & argument
499 INTEGER, INTENT(IN) :: nshellb local
553 SUBROUTINE construct_dev_shg_ab(la, first_sgfa, nshella, lb, first_sgfb, nshellb, rab, & argument
559 INTEGER, INTENT(IN) :: nshellb local
620 SUBROUTINE construct_overlap_shg_aba(la, first_sgfa, nshella, lb, first_sgfb, nshellb, & argument
627 INTEGER, INTENT(IN) :: nshellb local
708 SUBROUTINE dev_overlap_shg_aba(la, first_sgfa, nshella, lb, first_sgfb, nshellb, & argument
715 INTEGER, INTENT(IN) :: nshellb local
812 INTEGER, INTENT(IN) :: nshellb local
896 SUBROUTINE dev_overlap_shg_abb(la, first_sgfa, nshella, lb, first_sgfb, nshellb, & argument
[all …]
H A Ds_contract_shg.F922 SUBROUTINE contract_sint_ab_clow(la, npgfa, nshella, scona_shg, lb, npgfb, nshellb, sconb_shg, & argument
929 INTEGER, INTENT(IN) :: npgfb, nshellb local
980 npgfb, nshellb, sconb, & argument
985 INTEGER, INTENT(IN) :: npgfb, nshellb local
1022 …SUBROUTINE contract_s_ra2m_ab(npgfa, nshella, scon_ra2m, npgfb, nshellb, sconb, swork, swork_cont,… argument
1027 INTEGER, INTENT(IN) :: npgfb, nshellb local
1076 SUBROUTINE contract_s_overlap_abb(la, npgfa, nshella, scona_shg, lb, npgfb, nshellb, & argument
1084 INTEGER, INTENT(IN) :: npgfb, nshellb local
1168 SUBROUTINE contract_s_overlap_aba(la, npgfa, nshella, lb, npgfb, nshellb, sconb_shg, & argument
1175 INTEGER, INTENT(IN) :: npgfb, nshellb local
H A Dgeneric_shg_integrals.F444 nsgfb, nshella, nshellb local
564 nshellb local
695 nsgfb, nshella, nshellb local
821 nshellb, nshellcb local
1133 nshellb, nshellca local
/dports/science/cp2k-data/cp2k-7.1.0/src/shg_int/
H A Dconstruct_shg.F493 SUBROUTINE construct_int_shg_ab(la, first_sgfa, nshella, lb, first_sgfb, nshellb, & argument
499 INTEGER, INTENT(IN) :: nshellb local
553 SUBROUTINE construct_dev_shg_ab(la, first_sgfa, nshella, lb, first_sgfb, nshellb, rab, & argument
559 INTEGER, INTENT(IN) :: nshellb local
620 SUBROUTINE construct_overlap_shg_aba(la, first_sgfa, nshella, lb, first_sgfb, nshellb, & argument
627 INTEGER, INTENT(IN) :: nshellb local
708 SUBROUTINE dev_overlap_shg_aba(la, first_sgfa, nshella, lb, first_sgfb, nshellb, & argument
715 INTEGER, INTENT(IN) :: nshellb local
812 INTEGER, INTENT(IN) :: nshellb local
896 SUBROUTINE dev_overlap_shg_abb(la, first_sgfa, nshella, lb, first_sgfb, nshellb, & argument
[all …]
H A Ds_contract_shg.F922 SUBROUTINE contract_sint_ab_clow(la, npgfa, nshella, scona_shg, lb, npgfb, nshellb, sconb_shg, & argument
929 INTEGER, INTENT(IN) :: npgfb, nshellb local
980 npgfb, nshellb, sconb, & argument
985 INTEGER, INTENT(IN) :: npgfb, nshellb local
1022 …SUBROUTINE contract_s_ra2m_ab(npgfa, nshella, scon_ra2m, npgfb, nshellb, sconb, swork, swork_cont,… argument
1027 INTEGER, INTENT(IN) :: npgfb, nshellb local
1076 SUBROUTINE contract_s_overlap_abb(la, npgfa, nshella, scona_shg, lb, npgfb, nshellb, & argument
1084 INTEGER, INTENT(IN) :: npgfb, nshellb local
1168 SUBROUTINE contract_s_overlap_aba(la, npgfa, nshella, lb, npgfb, nshellb, sconb_shg, & argument
1175 INTEGER, INTENT(IN) :: npgfb, nshellb local
H A Dgeneric_shg_integrals.F444 nsgfb, nshella, nshellb local
564 nshellb local
695 nsgfb, nshella, nshellb local
821 nshellb, nshellcb local
1133 nshellb, nshellca local
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dpw_env_methods.F759 INTEGER, DIMENSION(:), POINTER :: npgfa, npgfb, nshella, nshellb local
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dpw_env_methods.F766 INTEGER, DIMENSION(:), POINTER :: npgfa, npgfb, nshella, nshellb local