Searched refs:K_beta (Results 1 – 3 of 3) sorted by relevance
| /dports/science/ergo/ergo-3.8/source/test/ |
| H A D | many_h_atoms_test.cc | 342 symmMatrix K_beta; in get_energy() local
343 K_beta.resetSizesAndBlocks(sizeBlockInfo,sizeBlockInfo); in get_energy()
350 J_K_params, K_beta, D_beta, in get_energy()
355 report_max_abs_element_of_matrix(K_beta , "K_beta ", inversePermutationHML); in get_energy()
358 K_beta *= 2; in get_energy()
363 twoelMatrix_sparse_beta = J + K_beta; in get_energy()
383 ergo_real exchange_energy_beta = 0.5 * symmMatrix::trace_ab(D_beta, K_beta); in get_energy()
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| /dports/science/ergo/ergo-3.8/source/scf/ |
| H A D | scf_utils.cc | 1099 symmMatrix K_beta; in get_2e_matrices_and_energy_simple_HF_sparse_unrestricted() local
1100 K_beta.resetSizesAndBlocks(matrix_size_block_info, in get_2e_matrices_and_energy_simple_HF_sparse_unrestricted()
1136 K_beta, in get_2e_matrices_and_energy_simple_HF_sparse_unrestricted()
1146 K_beta *= 2; in get_2e_matrices_and_energy_simple_HF_sparse_unrestricted()
1148 twoelMatrix_sparse_beta = J + K_beta; in get_2e_matrices_and_energy_simple_HF_sparse_unrestricted()
1953 symmMatrix J_tot, K_alpha, K_beta; in get_2e_matrices_and_energy_restricted_open() local
1958 K_beta.resetSizesAndBlocks(matrix_size_block_info, in get_2e_matrices_and_energy_restricted_open()
1998 K_beta, in get_2e_matrices_and_energy_restricted_open()
2009 K_beta *= hf_weight*2.0; in get_2e_matrices_and_energy_restricted_open()
2019 twoelMatrix_Fc += ergo_real(0.5)*K_beta; in get_2e_matrices_and_energy_restricted_open()
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| /dports/math/py-sympy/sympy-1.9/sympy/combinatorics/ |
| H A D | perm_groups.py | 4640 K_beta = K.stabilizer(beta)
4644 orbits = list({tuple(K_beta.orbit(o)) for o in orbit})
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