| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/xc/ |
| H A D | xc_replicated.F | 424 subroutine xc_putget12(what,g_a,me,nbf_ao,a) argument
428 integer g_a, me,nbf_ao local
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/xc/ |
| H A D | xc_replicated.F | 424 subroutine xc_putget12(what,g_a,me,nbf_ao,a) argument
428 integer g_a, me,nbf_ao local
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/dimqm/ |
| H A D | dim_fock_xc.F | 1 subroutine fock_dim(geom, nbf_ao, ao_bas_han, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/dimqm/ |
| H A D | dim_fock_xc.F | 1 subroutine fock_dim(geom, nbf_ao, ao_bas_han, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/scf_dft/ |
| H A D | dft_swapab.F | 1 Subroutine dft_swapab(g_dens, g_movecs,nbf_ao,nocc, argument
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| H A D | print_irrep_occp.F | 1 subroutine print_irrep_occp(basis, nbf_ao, irs, occ, nspin) argument
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| H A D | dft_scfutil.F | 171 subroutine dft_print_evals_ab(nbf_ao, occ, evals,ipol) argument
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| H A D | dft_canorg.F | 167 subroutine dft_guessout(nmo,nbf_ao,g_gmovecs,g_movecs,ipol) argument
171 integer nmo(2),nbf_ao,g_gmovecs(2),g_movecs(2),ipol local
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/hessian/analytic/dft/ |
| H A D | xc_init_index.F | 1 subroutine xc_init_index(geom,ipol,nbf_ao,ao_bas_han, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/scf_dft/ |
| H A D | dft_swapab.F | 1 Subroutine dft_swapab(g_dens, g_movecs,nbf_ao,nocc, argument
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| H A D | print_irrep_occp.F | 1 subroutine print_irrep_occp(basis, nbf_ao, irs, occ, nspin) argument
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| H A D | dft_scfutil.F | 171 subroutine dft_print_evals_ab(nbf_ao, occ, evals,ipol) argument
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| H A D | dft_canorg.F | 167 subroutine dft_guessout(nmo,nbf_ao,g_gmovecs,g_movecs,ipol) argument
171 integer nmo(2),nbf_ao,g_gmovecs(2),g_movecs(2),ipol local
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/hessian/analytic/dft/ |
| H A D | xc_init_index.F | 1 subroutine xc_init_index(geom,ipol,nbf_ao,ao_bas_han, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/lr_tddft/ |
| H A D | tddft_simpleso.F | 6 subroutine tddft_simpleso(rtdb,ipol,nbf_ao) argument
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| H A D | tddft_fold.F | 1 Subroutine tddft_fold(nroots,nbf_ao,ipol,nocc,nmo,nfc,nfv, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/lr_tddft_grad/ |
| H A D | tddft_grad_epsilon.F | 5 subroutine tddft_grad_epsilon(g_x,g_Ax,ipol,nroot,nbf_ao, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/lr_tddft_grad/ |
| H A D | tddft_grad_epsilon.F | 5 subroutine tddft_grad_epsilon(g_x,g_Ax,ipol,nroot,nbf_ao, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/lr_tddft/ |
| H A D | tddft_simpleso.F | 6 subroutine tddft_simpleso(rtdb,ipol,nbf_ao) argument
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| H A D | tddft_fold.F | 1 Subroutine tddft_fold(nroots,nbf_ao,ipol,nocc,nmo,nfc,nfv, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/ddscf/ |
| H A D | fock_xc.F | 4 subroutine fock_xc(geom, nbf_ao, ao_bas_han, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/ddscf/ |
| H A D | fock_xc.F | 4 subroutine fock_xc(geom, nbf_ao, ao_bas_han, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/dftgrad/ |
| H A D | dftg_gridv0.F | 7 Subroutine dftg_gridv0(rtdb, geom,ao_bas_han,ipol,nbf_ao, argument
40 Subroutine dftgh_gridv0(rtdb, geom, ao_bas_han,ipol,nbf_ao, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/nwdft/dftgrad/ |
| H A D | dftg_gridv0.F | 7 Subroutine dftg_gridv0(rtdb, geom,ao_bas_han,ipol,nbf_ao, argument
40 Subroutine dftgh_gridv0(rtdb, geom, ao_bas_han,ipol,nbf_ao, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/nwdft/spec/ |
| H A D | dft_vspec_so.F | 7 subroutine dft_vspec_so(rtdb, ao_bas_han,filename,nbf_ao,nbf_mo, argument
|