| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/test_f90/delta/ |
| H A D | test_delta_geom.F90 | 37 integer orders_geo_pot(2) !orders of geometric derivatives local
90 subroutine sub_test_delta_geom(orders_geo_pot, order_elec, io_log, test_failed) argument
97 integer, intent(in) :: orders_geo_pot(2) local
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| H A D | test_delta_hket.F90 | 38 integer orders_geo_pot(2) !orders of geometric derivatives local
171 subroutine sub_test_delta_hket(orders_hgto_ket, orders_geo_pot, order_elec, & argument
180 integer, intent(in) :: orders_geo_pot(2) local
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/test_f90/nucpot/ |
| H A D | test_nucpot_geom.F90 | 37 …integer orders_geo_pot(2) !orders of geometric derivatives on nuclear attraction poten… local
95 subroutine sub_test_nucpot_geom(orders_geo_pot, order_elec, io_log, test_failed) argument
102 integer, intent(in) :: orders_geo_pot(2) local
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| H A D | test_nucpot_hket.F90 | 38 … integer orders_geo_pot(2) !orders of geometric derivatives on nuclear potential origin local
105 subroutine sub_test_nucpot_hket(orders_hgto_ket, orders_geo_pot, order_elec, & argument
114 integer, intent(in) :: orders_geo_pot(2) local
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| H A D | test_nucpot_hbra.F90 | 39 … integer orders_geo_pot(2) !orders of geometric derivatives on nuclear potential origin local
116 subroutine sub_test_nucpot_hbra(orders_hgto_bra, orders_hgto_ket, orders_geo_pot, & argument
126 integer, intent(in) :: orders_geo_pot(2) local
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/test_f90/gaupot/ |
| H A D | test_gaupot_geom.F90 | 37 …integer orders_geo_pot(2) !orders of geometric derivatives on Gaussian charge potentia… local
106 subroutine sub_test_gaupot_geom(orders_geo_pot, gaupot_expt, order_elec, & argument
114 integer, intent(in) :: orders_geo_pot(2) local
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/src/delta/ |
| H A D | delta_geom.F90 | 40 delta_origin, scal_const, orders_geo_pot, order_elec, & argument
50 integer, intent(in) :: orders_geo_pot(2) local
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| H A D | delta_hket.F90 | 39 subroutine delta_hket(orders_hgto_ket, orders_geo_pot, coord_ket, exponent_ket, & argument
45 integer, intent(in) :: orders_geo_pot(2) local
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/src/gaupot/ |
| H A D | gaupot_geom.F90 | 46 gaupot_origin, gaupot_expt, scal_const, orders_geo_pot, & argument
57 integer, intent(in) :: orders_geo_pot(2) local
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| /dports/science/dalton/dalton-66052b3af5ea7225e31178bf9a8b031913c72190/external/gen1int/src/nucpot/ |
| H A D | nucpot_geom.F90 | 45 nucpot_origin, scal_const, orders_geo_pot, order_elec, & argument
55 integer, intent(in) :: orders_geo_pot(2) local
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| H A D | nucpot_hket.F90 | 42 subroutine nucpot_hket(orders_hgto_ket, orders_geo_pot, coord_bra, exponent_bra, & argument
48 integer, intent(in) :: orders_geo_pot(2) local
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| H A D | nucpot_hbra.F90 | 45 subroutine nucpot_hbra(orders_hgto_bra, orders_hgto_ket, orders_geo_pot, & argument
53 integer, intent(in) :: orders_geo_pot(2) local
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