Searched defs:result_nuclearRepulsionEnergy (Results 1 – 3 of 3) sorted by relevance
93 ergo_real & result_nuclearRepulsionEnergy) in compute_V_sparse()175 ergo_real & result_nuclearRepulsionEnergy) { in compute_V_sparse_hierarchical()
1119 ergo_real & result_nuclearRepulsionEnergy in compute_V_and_gradient_linear()1423 ergo_real & result_nuclearRepulsionEnergy in compute_V_hierarchical()
417 ergo_real & result_nuclearRepulsionEnergy) in compute_h_core_matrix_simple_dense()468 ergo_real & result_nuclearRepulsionEnergy, in compute_h_core_matrix_sparse()