Searched refs:rho_iter_new (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
634 rho_iter_new = (dln_eps_elec(1)%pw%cr3d(i, j, k)*dphi_tot(1)%pw%cr3d(i, j, k) + &
637 rho_iter_new = rho_iter_old%cr3d(i, j, k) + &
638 sccs_control%mixing*(rho_iter_new - rho_iter_old%cr3d(i, j, k))
639 rho_delta = ABS(rho_iter_new - rho_iter_old%cr3d(i, j, k))
642 rho_tot%cr3d(i, j, k) = rho_tot_zero%cr3d(i, j, k) + rho_iter_new
643 rho_iter_old%cr3d(i, j, k) = rho_iter_new
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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
631 rho_iter_new = (dln_eps_elec(1)%pw%cr3d(i, j, k)*dphi_tot(1)%pw%cr3d(i, j, k) + &
634 rho_iter_new = rho_iter_old%cr3d(i, j, k) + &
635 sccs_control%mixing*(rho_iter_new - rho_iter_old%cr3d(i, j, k))
636 rho_delta = ABS(rho_iter_new - rho_iter_old%cr3d(i, j, k))
639 rho_tot%cr3d(i, j, k) = rho_tot_zero%cr3d(i, j, k) + rho_iter_new
640 rho_iter_old%cr3d(i, j, k) = rho_iter_new
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