Searched refs:rho_delta_max (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_sccs.F | 146 norm_drho2, polarisation_charge, rho_delta, rho_delta_avg, rho_delta_max, rho_iter_new, & local
624 rho_delta_max = 0.0_dp
640 rho_delta_max = MAX(rho_delta, rho_delta_max)
651 CALL mp_max(rho_delta_max, para_env%group)
658 "SCCS| ", iter, rho_delta_avg, rho_delta_max, energy%sccs_hartree
661 "SCCS| ", iter, rho_delta_avg, rho_delta_max, energy%sccs_hartree
667 IF (rho_delta_max <= sccs_control%eps_sccs) THEN
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_sccs.F | 146 norm_drho2, polarisation_charge, rho_delta, rho_delta_avg, rho_delta_max, rho_iter_new, & local
621 rho_delta_max = 0.0_dp
637 rho_delta_max = MAX(rho_delta, rho_delta_max)
648 CALL mp_max(rho_delta_max, para_env%group)
655 "SCCS| ", iter, rho_delta_avg, rho_delta_max
658 "SCCS| ", iter, rho_delta_avg, rho_delta_max
664 IF (rho_delta_max <= sccs_control%eps_sccs) THEN
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