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Searched refs:num_cart_bra (Results 1 – 8 of 8) sorted by relevance

/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/src/ecp/
H A Dcontr_cgto_ecp_local.F9073 num_cart_bra, num_cart_ket, num_opt, contr_ints) argument
103 integer, intent(in) :: num_cart_bra local
106 real(REALK), intent(out) :: contr_ints(num_cart_bra,num_contr_bra, &
355 integer, intent(in) :: num_cart_bra local
358 real(REALK), intent(out) :: contr_ints(num_cart_bra,num_contr_bra, &
467 allocate(cart_pints(num_cart_bra,num_cart_ket,num_geo_opt, &
471 num_cart_bra*num_cart_ket*num_geo_opt*num_prim_bra*num_prim_ket, &
510 num_cart_bra, num_cart_ket, num_geo_opt, &
518 allocate(low_mom_cints(num_cart_bra,num_contr_bra, &
522 num_cart_bra*num_contr_bra*num_cart_ket*num_contr_ket*num_geo_opt, &
[all …]
H A Dcontr_cgto_ecp_non.F9073 num_cart_bra, num_cart_ket, num_opt, contr_ints) argument
103 integer, intent(in) :: num_cart_bra local
106 real(REALK), intent(out) :: contr_ints(num_cart_bra,num_contr_bra, &
355 integer, intent(in) :: num_cart_bra local
358 real(REALK), intent(out) :: contr_ints(num_cart_bra,num_contr_bra, &
467 allocate(cart_pints(num_cart_bra,num_cart_ket,num_geo_opt, &
471 num_cart_bra*num_cart_ket*num_geo_opt*num_prim_bra*num_prim_ket, &
510 num_cart_bra, num_cart_ket, num_geo_opt, &
518 allocate(low_mom_cints(num_cart_bra,num_contr_bra, &
522 num_cart_bra*num_contr_bra*num_cart_ket*num_contr_ket*num_geo_opt, &
[all …]
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/src/isdpot/
H A Dcontr_cgto_isdpot.F9072 num_cart_bra, num_cart_ket, num_opt, contr_ints) argument
103 integer, intent(in) :: num_cart_bra local
106 real(REALK), intent(out) :: contr_ints(num_cart_bra,num_contr_bra, &
356 integer, intent(in) :: num_cart_bra local
359 real(REALK), intent(out) :: contr_ints(num_cart_bra,num_contr_bra, &
468 allocate(cart_pints(num_cart_bra,num_cart_ket,num_geo_opt, &
472 num_cart_bra*num_cart_ket*num_geo_opt*num_prim_bra*num_prim_ket, &
511 num_cart_bra, num_cart_ket, num_geo_opt, &
519 allocate(low_mom_cints(num_cart_bra,num_contr_bra, &
523 num_cart_bra*num_contr_bra*num_cart_ket*num_contr_ket*num_geo_opt, &
[all …]
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/src/mcp1/
H A Dcontr_cgto_mcp1_core.F9073 num_cart_bra, num_cart_ket, num_opt, contr_ints) argument
103 integer, intent(in) :: num_cart_bra local
106 real(REALK), intent(out) :: contr_ints(num_cart_bra,num_contr_bra, &
355 integer, intent(in) :: num_cart_bra local
358 real(REALK), intent(out) :: contr_ints(num_cart_bra,num_contr_bra, &
467 allocate(cart_pints(num_cart_bra,num_cart_ket,num_geo_opt, &
471 num_cart_bra*num_cart_ket*num_geo_opt*num_prim_bra*num_prim_ket, &
510 num_cart_bra, num_cart_ket, num_geo_opt, &
518 allocate(low_mom_cints(num_cart_bra,num_contr_bra, &
522 num_cart_bra*num_contr_bra*num_cart_ket*num_contr_ket*num_geo_opt, &
[all …]
H A Dcontr_cgto_mcp1_pot.F9073 num_cart_bra, num_cart_ket, num_opt, contr_ints) argument
103 integer, intent(in) :: num_cart_bra local
106 real(REALK), intent(out) :: contr_ints(num_cart_bra,num_contr_bra, &
355 integer, intent(in) :: num_cart_bra local
358 real(REALK), intent(out) :: contr_ints(num_cart_bra,num_contr_bra, &
467 allocate(cart_pints(num_cart_bra,num_cart_ket,num_geo_opt, &
471 num_cart_bra*num_cart_ket*num_geo_opt*num_prim_bra*num_prim_ket, &
510 num_cart_bra, num_cart_ket, num_geo_opt, &
518 allocate(low_mom_cints(num_cart_bra,num_contr_bra, &
522 num_cart_bra*num_contr_bra*num_cart_ket*num_contr_ket*num_geo_opt, &
[all …]
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/src/dso/
H A Dcontr_cgto_dso.F9072 num_cart_bra, num_cart_ket, num_opt, contr_ints) argument
103 integer, intent(in) :: num_cart_bra local
106 real(REALK), intent(out) :: contr_ints(num_cart_bra,num_contr_bra, &
356 integer, intent(in) :: num_cart_bra local
359 real(REALK), intent(out) :: contr_ints(num_cart_bra,num_contr_bra, &
468 allocate(cart_pints(num_cart_bra,num_cart_ket,num_geo_opt, &
472 num_cart_bra*num_cart_ket*num_geo_opt*num_prim_bra*num_prim_ket, &
511 num_cart_bra, num_cart_ket, num_geo_opt, &
519 allocate(low_mom_cints(num_cart_bra,num_contr_bra, &
523 num_cart_bra*num_contr_bra*num_cart_ket*num_contr_ket*num_geo_opt, &
[all …]
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/src/carmom/
H A Dlcgto_zero_carmom.F9064 num_cart_bra, num_cart_ket, num_opt, contr_ints) argument
305 num_cart_bra, num_cart_ket, &
/dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/doc/
H A Dmanual.tex1124 num_cart_bra, num_cart_ket, num_opt, gen_ints)
1134 contr_ints(num_cart_bra,num_contr_bra,num_cart_ket,num_contr_ket, &
1181 num_cart_bra, num_cart_ket, num_opt, gen_ints)
1190 contr_ints(num_cart_bra,num_contr_bra,num_cart_ket,num_contr_ket, &
1232 num_cart_bra, num_cart_ket, num_opt, contr_ints)
1236 contr_ints(num_cart_bra,num_contr_bra,num_cart_ket,num_contr_ket, &