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Searched refs:singles_corr (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_energy_types.F65 singles_corr, & component
193 qs_energy%singles_corr = 0.0_dp
H A Dalmo_scf_qs.F825 qs_energy%singles_corr = energy_singles_corr
827 qs_energy%singles_corr = 0.0_dp
834 qs_energy%total = qs_energy%total + qs_energy%singles_corr
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_energy_types.F63 singles_corr, & component
190 qs_energy%singles_corr = 0.0_dp
H A Dalmo_scf_qs.F825 qs_energy%singles_corr = energy_singles_corr
827 qs_energy%singles_corr = 0.0_dp
834 qs_energy%total = qs_energy%total + qs_energy%singles_corr