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

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dqs_energy_types.F51 sccs_hartree, & ! SCCS Hartree energy of solute + solvent component
180 qs_energy%sccs_hartree = 0.0_dp
H A Dqs_sccs.F617 ehartree=energy%sccs_hartree, &
658 "SCCS| ", iter, rho_delta_avg, rho_delta_max, energy%sccs_hartree
661 "SCCS| ", iter, rho_delta_avg, rho_delta_max, energy%sccs_hartree
710 ehartree=energy%sccs_hartree, &
717 ehartree=energy%sccs_hartree, &
823 "SCCS| Hartree energy of solute and solvent [Hartree]", energy%sccs_hartree
H A Dqs_scf_output.F464 "SCCS| Hartree energy of solute and solvent [Hartree]", energy%sccs_hartree
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dqs_energy_types.F50 sccs_hartree, & ! SCCS Hartree energy of solute + solvent component
177 qs_energy%sccs_hartree = 0.0_dp
H A Dqs_sccs.F680 ehartree=energy%sccs_hartree, &
687 ehartree=energy%sccs_hartree, &
758 "SCCS| Hartree energy of solute and solvent [Hartree]", energy%sccs_hartree
H A Dqs_scf_output.F453 "SCCS| Hartree energy of solute and solvent [Hartree]", energy%sccs_hartree