Ignore:
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:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIstrMath.py

    r2004 r2005  
    916916            2.*fbs[0]*np.array([np.sum(dfbdba*dBabdA),np.sum(-dfbdba*parmDict[phfx+'BabA']*SQfactor*dBabdA)]).T
    917917#        GSASIIpath.IPyBreak()
    918     print ' derivative time %.4f\r'%(time.time()-time0)
     918        if not iref%100 :
     919            print ' %d derivative time %.4f\r'%(iref,time.time()-time0),
    919920        #loop over atoms - each dict entry is list of derivatives for all the reflections
    920921    if nTwin > 1:
     
    12741275            2.*fbs[0]*np.array([np.sum(dfbdba*dBabdA),np.sum(-dfbdba*parmDict[phfx+'BabA']*SQfactor*dBabdA)]).T
    12751276        #loop over atoms - each dict entry is list of derivatives for all the reflections
     1277        if not iref%100 :
     1278            print ' %d derivative time %.4f\r'%(iref,time.time()-time0),
    12761279    for i in range(len(Mdata)):     #loop over atoms 
    12771280        dFdvDict[pfx+'Afrac:'+str(i)] = dFdfr.T[i]
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