Searched defs:dftEnergy (Results 1 – 5 of 5) sorted by relevance
123 ergo_real dftEnergy; in small_calculation_core() local268 ergo_real dftEnergy; in benchmark_calculation() local307 ergo_real dftEnergy; in mol_calculation() local
119 ergo_real dftEnergy = 0; in test_small() local314 ergo_real dftEnergy = 0; in test_mol() local
116 ergo_real dftEnergy = 0; in test_small() local
160 ergo_real dftEnergy = 0; in test_small() local
309 ergo_real dftEnergy = 0; in ComputeMatrix() local1246 ergo_real dftEnergy; in get_2e_matrix_and_energy_simple_sparse() local1412 ergo_real dftEnergy; in get_2e_matrices_and_energy_simple_sparse_unrestricted() local1458 ergo_real dftEnergy = 0; in get_2e_matrices_and_energy_simple_sparse_unrestricted() local1684 ergo_real dftEnergy; in get_2e_matrix_and_energy_sparse() local1886 ergo_real dftEnergy = 0; in get_2e_matrices_and_energy_sparse_unrestricted() local2028 ergo_real dftEnergy = 0; in get_2e_matrices_and_energy_restricted_open() local