/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/shg_int/ |
H A D | construct_shg.F | 493 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 …]
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H A D | s_contract_shg.F | 922 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
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H A D | generic_shg_integrals.F | 444 nsgfb, nshella, nshellb local 564 nshellb local 695 nsgfb, nshella, nshellb local 821 nshellb, nshellcb local 1133 nshellb, nshellca local
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/dports/science/cp2k-data/cp2k-7.1.0/src/shg_int/ |
H A D | construct_shg.F | 493 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 …]
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H A D | s_contract_shg.F | 922 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
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H A D | generic_shg_integrals.F | 444 nsgfb, nshella, nshellb local 564 nshellb local 695 nsgfb, nshella, nshellb local 821 nshellb, nshellcb local 1133 nshellb, nshellca local
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | pw_env_methods.F | 759 INTEGER, DIMENSION(:), POINTER :: npgfa, npgfb, nshella, nshellb local
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | pw_env_methods.F | 766 INTEGER, DIMENSION(:), POINTER :: npgfa, npgfb, nshella, nshellb local
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