/dports/science/cp2k-data/cp2k-7.1.0/src/eri_mme/ |
H A D | eri_mme_error_control.F | 62 SUBROUTINE calibrate_cutoff(hmat, h_inv, G_min, vol, zet_min, l_mm, zet_max, l_max_zet, & argument 70 REAL(KIND=dp), INTENT(IN) :: zet_max local 204 …SUBROUTINE cutoff_minimax_error(cutoff, hmat, h_inv, vol, G_min, zet_min, l_mm, zet_max, l_max_zet… argument 210 REAL(KIND=dp), INTENT(IN) :: zet_max local 292 SUBROUTINE cutoff_error(cutoff, h_inv, G_min, zet_max, l_max_zet, & argument 296 REAL(KIND=dp), INTENT(IN) :: G_min, zet_max local 404 … SUBROUTINE cutoff_error_fixed_exp(cutoff, h_inv, G_min, l_max_zet, zet_max, C_mm, err_c, para_env) argument 409 REAL(KIND=dp), INTENT(IN) :: zet_max, C_mm local
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H A D | eri_mme_types.F | 85 REAL(KIND=dp) :: zet_max, zet_min component 171 …SUBROUTINE eri_mme_set_params(param, hmat, is_ortho, zet_min, zet_max, l_max_zet, l_max, para_env,… argument 176 REAL(KIND=dp), INTENT(IN) :: zet_min, zet_max local
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/eri_mme/ |
H A D | eri_mme_error_control.F | 62 SUBROUTINE calibrate_cutoff(hmat, h_inv, G_min, vol, zet_min, l_mm, zet_max, l_max_zet, & argument 70 REAL(KIND=dp), INTENT(IN) :: zet_max local 204 …SUBROUTINE cutoff_minimax_error(cutoff, hmat, h_inv, vol, G_min, zet_min, l_mm, zet_max, l_max_zet… argument 210 REAL(KIND=dp), INTENT(IN) :: zet_max local 292 SUBROUTINE cutoff_error(cutoff, h_inv, G_min, zet_max, l_max_zet, & argument 296 REAL(KIND=dp), INTENT(IN) :: G_min, zet_max local 404 … SUBROUTINE cutoff_error_fixed_exp(cutoff, h_inv, G_min, l_max_zet, zet_max, C_mm, err_c, para_env) argument 409 REAL(KIND=dp), INTENT(IN) :: zet_max, C_mm local
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H A D | eri_mme_types.F | 85 REAL(KIND=dp) :: zet_max, zet_min component 171 …SUBROUTINE eri_mme_set_params(param, hmat, is_ortho, zet_min, zet_max, l_max_zet, l_max, para_env,… argument 176 REAL(KIND=dp), INTENT(IN) :: zet_min, zet_max local
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | cp_eri_mme_interface.F | 367 REAL(KIND=dp) :: zet_max, zet_min local 395 …SUBROUTINE eri_mme_set_params_custom(param, hmat, is_ortho, zet_min, zet_max, l_max_zet, l_max, pa… argument 400 REAL(KIND=dp), INTENT(IN) :: zet_min, zet_max local 444 …_pgf_params_from_basis(qs_kind_set, basis_type_1, basis_type_2, zet_min, zet_max, l_max_zet, l_max) argument 449 REAL(KIND=dp), INTENT(OUT) :: zet_min, zet_max local
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H A D | lri_optimize_ri_basis.F | 468 REAL(KIND=dp) :: zet_max, zet_min local 545 REAL(KIND=dp), DIMENSION(:), POINTER :: zet_max, zet_min local 567 SUBROUTINE geometric_progression(zet, zet_max, zet_min, nexp) argument 570 REAL(KIND=dp), INTENT(IN) :: zet_max, zet_min local
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | cp_eri_mme_interface.F | 367 REAL(KIND=dp) :: zet_max, zet_min local 395 …SUBROUTINE eri_mme_set_params_custom(param, hmat, is_ortho, zet_min, zet_max, l_max_zet, l_max, pa… argument 400 REAL(KIND=dp), INTENT(IN) :: zet_min, zet_max local 444 …_pgf_params_from_basis(qs_kind_set, basis_type_1, basis_type_2, zet_min, zet_max, l_max_zet, l_max) argument 449 REAL(KIND=dp), INTENT(OUT) :: zet_min, zet_max local
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H A D | lri_optimize_ri_basis.F | 468 REAL(KIND=dp) :: zet_max, zet_min local 545 REAL(KIND=dp), DIMENSION(:), POINTER :: zet_max, zet_min local 567 SUBROUTINE geometric_progression(zet, zet_max, zet_min, nexp) argument 570 REAL(KIND=dp), INTENT(IN) :: zet_max, zet_min local
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