Searched refs:bestFockMatrixSoFar (Results 1 – 2 of 2) sorted by relevance
124 bestFockMatrixSoFar.resetSizesAndBlocks(matOpts.size_block_info, in initialize_matrices()271 bestFockMatrixSoFar.writeToFile(); in write_matrices_to_file()676 bestFockMatrixSoFar.readFromFile(); in update_best_fock_so_far()677 bestFockMatrixSoFar = Fprev; in update_best_fock_so_far()679 bestFockMatrixSoFar.writeToFile(); in update_best_fock_so_far()690 bestFockMatrixSoFar.readFromFile(); in combine_old_fock_matrices()695 FockMatrix += (1 - stepLength) * bestFockMatrixSoFar; in combine_old_fock_matrices()697 bestFockMatrixSoFar.writeToFile(); in combine_old_fock_matrices()
137 symmMatrix bestFockMatrixSoFar; variable