Searched defs:almo_scf_xalmo_trustr (Results 1 – 1 of 1) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | almo_scf_optimizer.F | 9070 CHARACTER(len=*), PARAMETER :: routineN = 'almo_scf_xalmo_trustr', & argument
9073 INTEGER :: handle, ispin, iteration, iteration_type_to_report, my_special_case, ndomains, &
9074 nspins, outer_iteration, prec_type, unit_nr
9077 optimize_theta, penalty_occ_vol, reset_conjugator, same_position, scf_converged
9078 REAL(kind=dp) :: beta, energy_start, energy_trial, eta, expected_reduction, &
9080 loss_start, loss_trial, model_grad_norm, penalty_amplitude, penalty_start, penalty_trial, &
9081 radius_current, radius_max, real_temp, rho, spin_factor, step_norm, step_size, t1, &
9082 t1outer, t2, t2outer, y_scalar
9089 m_model_hessian, m_model_hessian_inv, m_model_r, m_model_r_prev, m_model_rt, &
9090 m_model_rt_prev, m_sig_sqrti_ii, m_theta, m_theta_trial, prev_step, siginvTFTsiginv, ST, &
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