Searched defs:ec_ls_solver (Results 1 – 1 of 1) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | energy_corrections.F | 1451 CHARACTER(LEN=*), PARAMETER :: routineN = 'ec_ls_solver', routineP = moduleN//':'//routineN argument
1453 INTEGER :: cluster_type, extrapolation_order, handle, ispin, max_iter_lanczos, nelectron, &
1454 nspins, s_inversion_type, s_preconditioner_type, s_sqrt_method, s_sqrt_order, &
1455 sign_method, sign_order
1457 LOGICAL :: check_s_inv, converged, &
1458 dynamic_threshold, fixed_mu, &
1461 REAL(KIND=dp) :: eps_filter, eps_lanczos, mu
1462 REAL(KIND=dp), DIMENSION(2) :: e_homo, e_lumo, mu_spin
1463 TYPE(dbcsr_type) :: matrix_s_inv, matrix_s_sqrt, &
1464 matrix_s_sqrt_inv, matrix_tmp
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