fix the bug in the calculation of RMSD, replace N with sqrt(N).

This commit is contained in:
Haiming Zhang 2015-06-25 12:41:26 +00:00
parent f10dfa311a
commit 088299daf2
1 changed files with 1 additions and 1 deletions

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@ -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