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Searched refs:core_overlap0 (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_energy_types.F26 core_overlap0, & component
156 qs_energy%core_overlap0 = 0.0_dp
H A Dse_core_core.F257 energy%core_overlap0 = enuclear
H A Dse_fock_matrix_coulomb.F797 energy%core_overlap = energy%core_overlap + energy%core_overlap0 + 0.5_dp*enuc
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_energy_types.F26 core_overlap0, & component
154 qs_energy%core_overlap0 = 0.0_dp
H A Dse_core_core.F257 energy%core_overlap0 = enuclear
H A Dse_fock_matrix_coulomb.F797 energy%core_overlap = energy%core_overlap + energy%core_overlap0 + 0.5_dp*enuc