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

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dpexsi_methods.F155 pexsi_env%tol_nel_target = numElectronTargetTolerance
284 …pexsi_env%tol_nel_initial = pexsi_env%tol_nel_target ! Turn off adaptive threshold for subsequent …
558 (pexsi_env%tol_nel_initial - pexsi_env%tol_nel_target)/(ABS(delta_scf) - eps_scf)
565 tol_nel = MAX(tol_nel, pexsi_env%tol_nel_target)
569 check_convergence = (tol_nel .LE. pexsi_env%tol_nel_target)
H A Dpexsi_types.F106 tol_nel_initial, tol_nel_target component
288 pexsi_env%tol_nel_target
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dpexsi_methods.F155 pexsi_env%tol_nel_target = numElectronTargetTolerance
284 …pexsi_env%tol_nel_initial = pexsi_env%tol_nel_target ! Turn off adaptive threshold for subsequent …
558 (pexsi_env%tol_nel_initial - pexsi_env%tol_nel_target)/(ABS(delta_scf) - eps_scf)
565 tol_nel = MAX(tol_nel, pexsi_env%tol_nel_target)
569 check_convergence = (tol_nel .LE. pexsi_env%tol_nel_target)
H A Dpexsi_types.F106 tol_nel_initial, tol_nel_target component
288 pexsi_env%tol_nel_target