Searched refs:q1sq (Results 1 – 5 of 5) sorted by relevance
73 real(dp) :: q1sq ! For scalar product variable570 q1sq = fdf_get("SCF.RhoG.Metric.Preconditioner.Cutoff",q1sq_def, "Ry")573 "Metric preconditioner cutoff (Ry): ", q1sq575 (min_g2 + q1sq)/min_g2, &576 (max_g2 + q1sq)/max_g2629 weight = (g2_diis(ip) + q1sq) / g2_diis(ip)
281 double q1sq = q0sq - 0.5 * (ey[1] + ez[2]); in exyz_to_q() local293 } else if (q1sq >= 0.25) { in exyz_to_q()294 q[1] = sqrt(q1sq); in exyz_to_q()
130 q1sq = q0sq - 0.5 * (mya2[1] + mya3[2])142 elif q1sq >= 0.25:143 myquat[1] = np.sqrt(q1sq)
418 double q1sq = q0sq - 0.5 * (ey[1] + ez[2]); in exyz_to_q() local430 } else if (q1sq >= 0.25) { in exyz_to_q()431 q[1] = sqrt(q1sq); in exyz_to_q()
154 q1sq = q0sq - 0.5 * (mya2[1] + mya3[2])166 elif q1sq >= 0.25:167 myquat[1] = np.sqrt(q1sq)