Changeset 2005 for trunk/GSASIIstrMath.py

Timestamp:

Oct 14, 2015 2:59:50 PM (7 years ago)

Author:

vondreele

Message:

add print every 100 refl. in structurefactorderv routines
fix atom loc problem

File:

• trunk/GSASIIstrMath.py (modified) (2 diffs)

trunk/GSASIIstrMath.py

@@ -916 +916 @@
             2.*fbs[0]*np.array([np.sum(dfbdba*dBabdA),np.sum(-dfbdba*parmDict[phfx+'BabA']*SQfactor*dBabdA)]).T
 #        GSASIIpath.IPyBreak()
-    print ' derivative time %.4f\r'%(time.time()-time0)
+        if not iref%100 :
+            print ' %d derivative time %.4f\r'%(iref,time.time()-time0),
         #loop over atoms - each dict entry is list of derivatives for all the reflections
     if nTwin > 1:
@@ -1274 +1275 @@
             2.*fbs[0]*np.array([np.sum(dfbdba*dBabdA),np.sum(-dfbdba*parmDict[phfx+'BabA']*SQfactor*dBabdA)]).T
         #loop over atoms - each dict entry is list of derivatives for all the reflections
+        if not iref%100 :
+            print ' %d derivative time %.4f\r'%(iref,time.time()-time0),
     for i in range(len(Mdata)):     #loop over atoms  
         dFdvDict[pfx+'Afrac:'+str(i)] = dFdfr.T[i]