Searched refs:output_sparsity_symm (Results 1 – 5 of 5) sorted by relevance
| /dports/science/ergo/ergo-3.8/source/scf/ |
| H A D | SCF_unrestricted.cc | 277 output_sparsity_symm(n, densityMatrix_alpha, "starting guess density matrix (alpha)"); in get_starting_guess_density()
278 output_sparsity_symm(n, densityMatrix_beta , "starting guess density matrix (beta )"); in get_starting_guess_density()
520 output_sparsity_symm(n, S_symm, "S"); in output_sparsity_S_F_D()
523 output_sparsity_symm(n, FockMatrix_alpha, "F_alpha"); in output_sparsity_S_F_D()
526 output_sparsity_symm(n, FockMatrix_beta, "F_beta "); in output_sparsity_S_F_D()
529 output_sparsity_symm(n, densityMatrix_alpha, "D_alpha"); in output_sparsity_S_F_D()
532 output_sparsity_symm(n, densityMatrix_beta, "D_beta "); in output_sparsity_S_F_D()
|
| H A D | SCF_general.cc | 141 output_sparsity_symm(n, S_symm, "S_symm before trunc"); in SCF_general()
315 output_sparsity_symm(n, H_core_Matrix, "H_core_Matrix before trunc"); in SCF_general()
329 output_sparsity_symm(n, H_core_Matrix, "H_core_Matrix after trunc"); in SCF_general()
|
| H A D | SCF_restricted.cc | 230 output_sparsity_symm(n, densityMatrix, "starting guess density matrix"); in get_starting_guess_density()
594 output_sparsity_symm(n, S_symm, "S"); in output_sparsity_S_F_D()
598 output_sparsity_symm(n, FockMatrix, "F"); in output_sparsity_S_F_D()
602 output_sparsity_symm(n, densityMatrix, "D"); in output_sparsity_S_F_D()
847 output_sparsity_symm(n, densityMatrix, "new density matrix"); in get_new_density_matrix()
|
| H A D | scf_utils.h | 52 void output_sparsity_symm(int n, const symmMatrix & M, const char* matrixName);
|
| H A D | scf_utils.cc | 376 void output_sparsity_symm(int n, const symmMatrix & M, const char* matrixName) in output_sparsity_symm() function
|