Searched refs:sccs_hartree (Results 1 – 6 of 6) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | qs_energy_types.F | 51 sccs_hartree, & ! SCCS Hartree energy of solute + solvent component 180 qs_energy%sccs_hartree = 0.0_dp
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H A D | qs_sccs.F | 617 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
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H A D | qs_scf_output.F | 464 "SCCS| Hartree energy of solute and solvent [Hartree]", energy%sccs_hartree
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | qs_energy_types.F | 50 sccs_hartree, & ! SCCS Hartree energy of solute + solvent component 177 qs_energy%sccs_hartree = 0.0_dp
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H A D | qs_sccs.F | 680 ehartree=energy%sccs_hartree, & 687 ehartree=energy%sccs_hartree, & 758 "SCCS| Hartree energy of solute and solvent [Hartree]", energy%sccs_hartree
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H A D | qs_scf_output.F | 453 "SCCS| Hartree energy of solute and solvent [Hartree]", energy%sccs_hartree
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