Changeset 4441
 Timestamp:
 May 26, 2020 11:44:22 AM (3 years ago)
 Location:
 trunk
 Files:

 2 edited
Legend:
 Unmodified
 Added
 Removed

trunk/GSASIIspc.py
r4440 r4441 2083 2083 X = np.array(XYZ) 2084 2084 mj = 0 2085 cell0 = np.zeros(3,dtype=np.int32)2086 2085 for ic,cen in enumerate(icen): 2087 2086 C = np.array(cen) … … 2097 2096 XT = XT 2098 2097 XT += C 2099 cell = np.zeros(3,dtype=np.int32)+cell0 2100 cellj = np.zeros(3,dtype=np.int32) 2098 cell = np.zeros(3,dtype=np.int32) 2101 2099 if Move: 2102 newX,cell j= MoveToUnitCell(XT)2100 newX,cell = MoveToUnitCell(XT) 2103 2101 else: 2104 2102 newX = XT 2105 cell += cellj2106 2103 if All: 2107 2104 if np.allclose(newX,X,atol=0.0002): 
trunk/GSASIIstrMain.py
r4416 r4441 616 616 Amat,Bmat = G2lat.cell2AB(Cell[:6]) 617 617 covData = {} 618 if 'covData' in DisAglData:618 if len(DisAglData.get('covData',{})): 619 619 covData = DisAglData['covData'] 620 620 covMatrix = covData['covMatrix'] … … 647 647 Xvcov = [] 648 648 TxyzNames = '' 649 if 'covData' in DisAglData:649 if len(DisAglData.get('covData',{})): 650 650 OxyzNames = [pfx+'dAx:%d'%(Oatom[0]),pfx+'dAy:%d'%(Oatom[0]),pfx+'dAz:%d'%(Oatom[0])] 651 651 TxyzNames = [pfx+'dAx:%d'%(Tatom[0]),pfx+'dAy:%d'%(Tatom[0]),pfx+'dAz:%d'%(Tatom[0])] … … 729 729 Amat,Bmat = G2lat.cell2AB(Cell[:6]) 730 730 covData = {} 731 if 'covData' in DisAglData:731 if len(DisAglData.get('covData',{})): 732 732 covData = DisAglData['covData'] 733 733 pfx = str(DisAglData['pId'])+'::'
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