Changeset 1974

Timestamp:

Sep 20, 2015 1:51:29 PM (6 years ago)

Author:

vondreele

Message:

good step in ss structure factor clc.

File:

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

trunk/GSASIImath.py

@@ -943 +943 @@
         else:
             nx = 1
-            if 'Sawtooth' in wavwTypes:
+            if 'Sawtooth' in waveTypes:
                 XmodZ = 0
             else:
@@ -952 +952 @@
         Xmod = np.sum(XmodA+XmodB+XmodZ,axis=1)                    #atoms X pos X 32; sum waves
         D = H[:,3][:,nxs]*(glTau[nxs,:]+S[:,nxs])                                     #m*tau; ops X 32
-        HdotX = np.inner(np.swapaxes(Xmod,1,2),H[0,:3])[:,:,nxs]+D.T[nxs,:,:]         #atoms X 32 X ops
+        HdotX = np.inner(np.swapaxes(Xmod,1,2),H[:,:3])+D.T[nxs,:,:]         #atoms X 32 X ops
         sinHA = np.sum(np.sin(twopi*HdotX)*glWt[nxs,:,nxs],axis=1)              #atoms X ops
         cosHA = np.sum(np.cos(twopi*HdotX)*glWt[nxs,:,nxs],axis=1)