| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/rdmft/recycling/wfn1/ |
| H A D | wfn1_occ.F | 10 subroutine wfn1_occ(nbf,nea,neb,r_ofa,r_ofb,occa,occb, argument
69 subroutine wfn1_print_occ(nbf,nea,neb,r_ofa,r_ofb,occa,occb,En,v1) argument
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| H A D | wfn1_nxt2_print_occ.F | 9 subroutine wfn1_nxt2_print_occ(nea,neb,state,nbf,occa,occb) argument
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| H A D | wfn1_nxt_print_occ.F | 9 subroutine wfn1_nxt_print_occ(nea,neb,state,nbf,occa,occb) argument
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| H A D | wfn1_nxt_1el_eg.F | 65 subroutine wfn1_nxt_1el_eg(nbf,nea,neb,h1,occa,occb,da,db, argument
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| H A D | wfn1_nxt2_1el_n_ef.F | 68 subroutine wfn1_nxt2_1el_n_ef(nbf,nea,neb,h1,occa,occb,da,db, argument
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| H A D | wfn1_nxt2_1el_ef.F | 65 subroutine wfn1_nxt2_1el_ef(nbf,nea,neb,h1,occa,occb,da,db, argument
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| H A D | wfn1_nxt_2el_C_eg.F | 21 subroutine wfn1_nxt_2el_C_eg(nbf,nea,neb,eri,occa,occb,da,db, argument
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| H A D | wfn1_nxt2_2el_C_ef.F | 21 subroutine wfn1_nxt2_2el_C_ef(nbf,nea,neb,eri,occa,occb,da,db, argument
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| H A D | wfn1_nxt2_2el_n_C_ef.F | 24 subroutine wfn1_nxt2_2el_n_C_ef(nbf,nea,neb,eri,occa,occb,da,db, argument
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| H A D | wfn1_nxt_2el_X_eg.F | 27 subroutine wfn1_nxt_2el_X_eg(nbf,nea,neb,pow,erix,occa,occb,da,db, argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/rdmft/recycling/wfn1/ |
| H A D | wfn1_occ.F | 10 subroutine wfn1_occ(nbf,nea,neb,r_ofa,r_ofb,occa,occb, argument
69 subroutine wfn1_print_occ(nbf,nea,neb,r_ofa,r_ofb,occa,occb,En,v1) argument
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| H A D | wfn1_nxt2_print_occ.F | 9 subroutine wfn1_nxt2_print_occ(nea,neb,state,nbf,occa,occb) argument
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| H A D | wfn1_nxt_print_occ.F | 9 subroutine wfn1_nxt_print_occ(nea,neb,state,nbf,occa,occb) argument
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| H A D | wfn1_nxt2_1el_n_ef.F | 68 subroutine wfn1_nxt2_1el_n_ef(nbf,nea,neb,h1,occa,occb,da,db, argument
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| H A D | wfn1_nxt2_2el_C_ef.F | 21 subroutine wfn1_nxt2_2el_C_ef(nbf,nea,neb,eri,occa,occb,da,db, argument
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| H A D | wfn1_nxt2_2el_n_C_ef.F | 24 subroutine wfn1_nxt2_2el_n_C_ef(nbf,nea,neb,eri,occa,occb,da,db, argument
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| H A D | wfn1_nxt2_1el_ef.F | 65 subroutine wfn1_nxt2_1el_ef(nbf,nea,neb,h1,occa,occb,da,db, argument
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| H A D | wfn1_nxt_1el_eg.F | 65 subroutine wfn1_nxt_1el_eg(nbf,nea,neb,h1,occa,occb,da,db, argument
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| H A D | wfn1_nxt_2el_C_eg.F | 21 subroutine wfn1_nxt_2el_C_eg(nbf,nea,neb,eri,occa,occb,da,db, argument
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| H A D | wfn1_nxt_2el_X_eg.F | 27 subroutine wfn1_nxt_2el_X_eg(nbf,nea,neb,pow,erix,occa,occb,da,db, argument
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| /dports/science/nwchem/nwchem-7b21660b82ebd85ef659f6fba7e1e73433b0bd0a/src/rdmft/ |
| H A D | wfn1_print_occ.F | 3 subroutine wfn1_print_occ(nmo,occa,occb) argument
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| /dports/science/nwchem-data/nwchem-7.0.2-release/src/rdmft/ |
| H A D | wfn1_print_occ.F | 3 subroutine wfn1_print_occ(nmo,occa,occb) argument
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| /dports/science/helfem/HelFEM-21461e9/src/sadatom/ |
| H A D | main.cpp | 51 void hund_rule(const arma::ivec & occs, arma::ivec & occa, arma::ivec & occb) { in hund_rule()
82 arma::ivec occa, occb; in unrestrict_occupations() local
89 arma::ivec occa, occb; in translate_occs() local
403 arma::ivec occa(ulist[i].orbsa.Occs()); in main() local
499 arma::ivec occa(totlist[i].orbsa.Occs()); in main() local
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| /dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/atom/ |
| H A D | solvers.cpp | 36 std::vector<double> occa=atomic_occupancy(Nel_alpha,Ca.n_rows); in form_density() local
74 std::vector<double> occa=atomic_occupancy(Nel_alpha,Ea.n_elem); in print_atom_E() local
187 std::vector<double> occa=atomic_occupancy(Nel_alpha,sol.P.n_rows); in UHF() local
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| /dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/atom/ |
| H A D | solvers.cpp | 35 std::vector<double> occa=atomic_occupancy(Nel_alpha,Ca.n_rows); in form_density() local
73 std::vector<double> occa=atomic_occupancy(Nel_alpha,Ea.n_elem); in print_E() local
216 std::vector<double> occa=atomic_occupancy(Nel_alpha,sol.P.n_rows); in UHF() local
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