| /dports/science/mpqc/mpqc-2.3.1/src/lib/chemistry/qc/basis/ |
| H A D | gaussshval.cc | 159 int i_basis=0; // Basis function counter in hessian_values() local
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/NWints/api/ |
| H A D | int_1cg.F | 23 subroutine int_1cg(i_basis,ish,lscr,scr,l1g,G1e) argument
51 integer i_basis !< [Input] basis set handle local
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| H A D | int_1e3ov.F | 20 subroutine int_1e3ov (i_basis, ish, j_basis, jsh, k_basis, ksh, argument
44 integer i_basis !< [Input] basis set handle for ish local
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| H A D | int_1eelec.F | 29 subroutine int_1eelec(i_basis,ish,j_basis,jsh,lscr,scr,lelec,elec, argument
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| H A D | int_1epvpe.F | 17 subroutine int_1epvpe(i_basis,ish,j_basis,jsh,lscr,scr,lpvpe,pvpe) argument
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| H A D | int_1epxvpe.F | 17 subroutine int_1epxvpe(i_basis,ish,j_basis,jsh, argument
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| H A D | int_1estv.F | 70 subroutine int_1estv(i_basis,ish,j_basis,jsh,lscr,scr,lstv,S,T,V, argument
409 subroutine int_1eov(i_basis,ish,j_basis,jsh,lscr,scr,lov,Ov) argument
453 subroutine int_1eke(i_basis,ish,j_basis,jsh,lscr,scr,lke,Ke) argument
504 subroutine int_1epe(i_basis,ish,j_basis,jsh,lscr,scr,lpe,Pe) argument
559 subroutine int_1epe_beta(i_basis,ish,j_basis,jsh,lscr,scr,lpe,Pe) argument
626 subroutine int_1eh1(i_basis,ish,j_basis,jsh,lscr,scr,lh1,H1) argument
689 subroutine int_1eall(i_basis,ish,j_basis,jsh,lscr,scr,lstv,S,T,V) argument
727 subroutine int_1epot(i_basis,ish,j_basis,jsh,lscr,scr,lve,Ve) argument
758 subroutine int_1eefc(i_basis,ish,j_basis,jsh,lscr,scr,lstv,S,T,V, argument
1102 subroutine int_1epot1(i_basis,ish,j_basis,jsh,lscr,scr,lpe,Pe) argument
[all …]
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| H A D | int_angmom.F | 24 subroutine int_angmom(i_basis,ish,j_basis,jsh,lscr,scr,lh11,h11) argument
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| H A D | int_dipvel.F | 16 subroutine int_dipvel(i_basis,ish,j_basis,jsh,lscr,scr,lh11,h11) argument
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| H A D | int_dso.F | 31 subroutine int_dso(i_basis,ish,j_basis,jsh,lscr,scr,lh11,h11, argument
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| H A D | int_giaobq10.F | 28 subroutine int_giaobq10(i_basis,ish,j_basis,jsh,lscr,scr, argument
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| H A D | int_giaoh01.F | 27 subroutine int_giaoh01(i_basis,ish,j_basis,jsh,lscr,scr,lh01,h01, argument
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| H A D | int_giaoh11.F | 27 subroutine int_giaoh11(i_basis,ish,j_basis,jsh,lscr,scr,lh11,h11, argument
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| H A D | int_giaol10.F | 26 subroutine int_giaol10(i_basis,ish,j_basis,jsh,lscr,scr,ll10,l10) argument
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| H A D | int_giaos10.F | 27 subroutine int_giaos10(i_basis,ish,j_basis,jsh,lscr,scr,ls10,s10) argument
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| H A D | int_giaos100.F | 25 subroutine int_giaos100(i_basis,ish,j_basis,jsh,lscr,scr,ls10,s10) argument
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| H A D | int_giaotv10.F | 27 subroutine int_giaotv10(i_basis,ish,j_basis,jsh,lscr,scr, argument
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| H A D | int_l1e3ov.F | 25 subroutine int_l1e3ov(i_basis, ish, j_basis, jsh, k_basis, ksh, argument
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| H A D | int_l1eall.F | 43 subroutine int_l1eall(i_basis, ish, j_basis, jsh, zerotol, argument
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| H A D | int_l1eh1.F | 45 subroutine int_l1eh1(i_basis, ish, j_basis, jsh, zerotol, argument
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| H A D | int_l1eke.F | 30 subroutine int_l1eke(i_basis, ish, j_basis, jsh, zerotol, argument
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| H A D | int_l1eov.F | 29 subroutine int_l1eov(i_basis, ish, j_basis, jsh, zerotol, argument
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| H A D | int_l1epe.F | 35 subroutine int_l1epe(i_basis, ish, j_basis, jsh, zerotol, argument
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| H A D | int_lgen1e.F | 25 subroutine int_lgen1e(i_basis, ish, j_basis, jsh, zerotol, argument
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| H A D | int_mpole.F | 60 subroutine int_mpole(i_basis, ish, j_basis, jsh, lmax, centerl, argument
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