Searched refs:just_energy_xc (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_ks_methods.F | 220 hfx_treat_lsd_in_core, just_energy_xc, lrigpw, my_print, rigpw, use_virial local
310 just_energy_xc = just_energy
314 just_energy_xc = .TRUE.
565 just_energy=just_energy_xc)
569 CALL calculate_vxc_atom(qs_env, energy_only=just_energy_xc, exc1=energy%exc1_aux_fit, &
609 just_energy=just_energy_xc)
617 … CALL calculate_vxc_atom(qs_env, just_energy_xc, energy%exc1, xc_section_external=xc_section)
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_ks_methods.F | 217 hfx_treat_lsd_in_core, just_energy_xc, lrigpw, my_print, rigpw, use_virial local
306 just_energy_xc = just_energy
310 just_energy_xc = .TRUE.
559 just_energy=just_energy_xc)
594 just_energy=just_energy_xc)
602 CALL calculate_vxc_atom(qs_env, just_energy_xc)
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