From 088299daf2aa5440583bd66566f2c914ee78f536 Mon Sep 17 00:00:00 2001 From: Haiming Zhang Date: Thu, 25 Jun 2015 12:41:26 +0000 Subject: [PATCH] fix the bug in the calculation of RMSD, replace N with sqrt(N). --- processing/misc/yieldSurface.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/processing/misc/yieldSurface.py b/processing/misc/yieldSurface.py index 76d478ef6..9fb17e617 100755 --- a/processing/misc/yieldSurface.py +++ b/processing/misc/yieldSurface.py @@ -1189,7 +1189,7 @@ class Criterion(object): raise RuntimeError("Optimal parameters not found: " + errmsg) else: residual = criteria.fun(popt, ydata, stress) - fitResidual.append(np.linalg.norm(residual)/len(residual)) + fitResidual.append(np.linalg.norm(residual)/np.sqrt(len(residual))) if (len(ydata) > len(initialguess)) and pcov is not None: s_sq = (criteria.fun(popt, *(ydata,stress))**2).sum()/(len(ydata)-len(initialguess)) pcov = pcov * s_sq