Changeset 2486 for trunk/GSASIIIO.py

Timestamp:

Oct 12, 2016 1:06:57 PM (6 years ago)

Author:

vondreele

Message:

fix mag form factor lookup - some aren't chemical valences (e.g. Fe+4)
fix mag form factor periodic table - nonmagnetic atoms now not shown
fix powder reflection mark & diff curve placement issues
fix issues with mag structure drawings - fill unit cell, etc.
fix structure transform to make magnetic cells (still needs making of constraints)
fix problem of mustrain & hstrain coeff changes with change in space group
add print to file of covariance matrix - user request
fix magnetic moment site symmetry restrictions
work on mag structure factor calcs.
change EXP file importer to ignore magnetic symmetry from GSAS

File:

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

trunk/GSASIIIO.py

@@ -912 +912 @@
             parms = ['LXC',data['wavelength'],0.0,Azms[i]]
         Y = G2frame.Integrate[0][i]
+        Ymax = np.max(Y)
         W = np.where(Y>0.,1./Y,1.e-6)                    #probably not true
         Id = G2frame.PatternTree.AppendItem(parent=G2frame.root,text=Aname)
@@ -938 +939 @@
             'Dummy':False,
             'ranId':ran.randint(0,sys.maxint),
-            'Offset':[0.0,0.0],'delOffset':0.02,'refOffset':-1.0,'refDelt':0.01,
+            'Offset':[0.0,0.0],'delOffset':0.02*Ymax,'refOffset':-0.1*Ymax,'refDelt':0.1*Ymax,
             'qPlot':False,'dPlot':False,'sqrtPlot':False
             }