Searched refs:n_large_basis (Results 1 – 4 of 4) sorted by relevance
1274 admm_env%lambda_merlot(ispin) = trace_tmp/(admm_env%n_large_basis(ispin))1282 … (ener_k(ispin) + ener_x(ispin))/(admm_env%n_large_basis(ispin))1286 … (energy%ex + energy%exc_aux_fit)/(admm_env%n_large_basis(ispin))1299 … ((admm_env%gsi(ispin))**(2.0_dp/3.0_dp))*trace_tmp_two)/(admm_env%n_large_basis(ispin))1304 (admm_env%n_large_basis(ispin))2069 admm_env%n_large_basis(3) = 0.0_dp2073 CALL dbcsr_dot(density_matrix_large, overlap_matrix_large, admm_env%n_large_basis(ispin))2074 admm_env%n_large_basis(3) = admm_env%n_large_basis(3) + admm_env%n_large_basis(ispin)2077 admm_env%gsi(ispin) = admm_env%n_large_basis(ispin)/nel_tmp_aux
122 n_large_basis(3) = 0.0_dp component
1503 admm_env%lambda_merlot(ispin) = trace_tmp/(admm_env%n_large_basis(ispin))1513 (admm_env%n_large_basis(ispin))1518 /(admm_env%n_large_basis(ispin))1533 trace_tmp_two)/(admm_env%n_large_basis(ispin))1538 trace_tmp_two))/(admm_env%n_large_basis(ispin))2362 admm_env%n_large_basis(3) = 0.0_dp2366 CALL dbcsr_dot(density_matrix_large, overlap_matrix_large, admm_env%n_large_basis(ispin))2367 admm_env%n_large_basis(3) = admm_env%n_large_basis(3) + admm_env%n_large_basis(ispin)2370 admm_env%gsi(ispin) = admm_env%n_large_basis(ispin)/nel_tmp_aux
147 n_large_basis(3) = 0.0_dp component