Searched refs:eigensolver_maxiter (Results 1 – 9 of 9) sorted by relevance
| /dports/science/ergo/ergo-3.8/source/scf/ |
| H A D | scf.h | 156 int eigensolver_maxiter; member
263 eigensolver_maxiter(200), in Options()
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| H A D | SCF_unrestricted.cc | 786 scfopts.eigensolver_maxiter, in get_new_density_matrix()
833 scfopts.eigensolver_maxiter, in get_new_density_matrix()
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| H A D | SCF_restricted.cc | 791 scfopts.eigensolver_maxiter, in get_new_density_matrix()
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| /dports/science/ergo/ergo-3.8/source/densfromf/ |
| H A D | GetDensFromFock.h | 136 eigensolver_maxiter = 0; in GetDensFromFock()
567 eigensolver_maxiter = eigensolver_maxiter_; in compute_eigenvectors()
687 …int eigensolver_maxiter; /**< Maximum number of iterations for the eigenvalue … variable
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| H A D | GetDensFromFock.cc | 612 eigensolver_maxiter, in get_dens_from_fock_sparse()
1097 file_basic << eigensolver_maxiter << "\n"; in create_checkpoint()
1285 file_basic >> DensFromFock.eigensolver_maxiter; in restore_from_checkpoint()
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| /dports/science/ergo/ergo-3.8/source/test/recursive_expansion_tests/ |
| H A D | recexp_test.cc | 255 int eigensolver_maxiter = 500; in main() local
264 eigensolver_maxiter, in main()
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| H A D | recexp_sprandsym.cc | 305 int eigensolver_maxiter = 200; in main() local
314 eigensolver_maxiter, in main()
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| /dports/science/ergo/ergo-3.8/source/densfromf/recursive_expansion/src/ |
| H A D | purification_general.h | 555 int eigensolver_maxiter; /**< Maximum number of iterations for eigensolver. */ variable
763 eigensolver_maxiter = eigensolver_maxiter_; in set_eigenvectors_params_basic()
764 assert(eigensolver_maxiter >= 1); in set_eigenvectors_params_basic()
2464 …EA_DENSFROMF, "Eigensolver did not converge within maxiter = %d iterations.", eigensolver_maxiter); in compute_eigenvectors_without_diagonalization_on_F()
2495 …EA_DENSFROMF, "Eigensolver did not converge within maxiter = %d iterations.", eigensolver_maxiter); in compute_eigenvectors_without_diagonalization_on_F()
3159 eigensolver_maxiter); in compute_eigenvector()
3165 …EA_DENSFROMF, "Eigensolver did not converge within maxiter = %d iterations.", eigensolver_maxiter); in compute_eigenvector()
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| /dports/science/ergo/ergo-3.8/source/ |
| H A D | ergo_scripted.cc | 802 scf.eigensolver_maxiter = var_get_intSCF("eigensolver_maxiter"); in es_run()
1687 …KWSCF(eigensolver_maxiter, VAR_INT, "The maximum number of iterations for the eigenvalue … in registerInputVariables()
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