Changeset 1561 for trunk/GSASIIstrMath.py

Timestamp:

Nov 4, 2014 10:59:58 AM (9 years ago)

Author:

vondreele

Message:

avoid error on startup with no file name
fix derivative errors for lattice parameters

File:

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

trunk/GSASIIstrMath.py

@@ -1400 +1400 @@
         const = dpr/np.sqrt(1.0-wave**2*dstsq/4.0)
         dpdw = const*dst
-        dpdA = np.array([h**2,k**2,l**2,h*k,h*l,k*l])
-        dpdA *= const*wave/(2.0*dst)
+        dpdA = np.array([h**2,k**2,l**2,h*k,h*l,k*l])*const*wave/(2.0*dst)
         dpdZ = 1.0
         const = 9.e-2/(np.pi*parmDict[hfx+'Gonio. radius'])                  #shifts in microns
@@ -1482 +1481 @@
     if 'C' in calcControls[hfx+'histType']:
         for item in dDijDict:
-            dDijDict[item] *= -180.0*refl[4]**2*tand(refl[5]/2.0)/np.pi
+            dDijDict[item] *= 180.0*refl[4]**2*tand(refl[5]/2.0)/np.pi
     else:
         for item in dDijDict: