Changeset 3346


Ignore:
Timestamp:
Apr 16, 2018 7:40:23 PM (4 years ago)
Author:
vondreele
Message:

fix the 1,1,1,90,90,90 problem for lattice parm default - 2 places

Location:
trunk
Files:
3 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIdataGUI.py

    r3340 r3346  
    77977797        data = G2frame.GPXtree.GetItemPyData(item)
    77987798        if not data:
    7799             data.append([0,0.0,4,25.0,0,'P1',1,1,1,90,90,90]) #zero error flag, zero value, max Nc/No, start volume
     7799            data.append([0,0.0,4,25.0,0,'P1',1.,1.,1.,90.,90.,90.]) #zero error flag, zero value, max Nc/No, start volume
    78007800            data.append([0,0,0,0,0,0,0,0,0,0,0,0,0,0])      #Bravais lattice flags
    78017801            data.append([])                                 #empty cell list
  • trunk/GSASIIlattice.py

    r3136 r3346  
    810810        cell = A2cell(A)
    811811    except:
    812         cell = [1,1,1,90,90,90]
     812        cell = [1.,1.,1.,90.,90.,90.]
    813813    for i in range(3):
    814814        Hmax[i] = int(round(cell[i]/dmin))
  • trunk/GSASIIstrMath.py

    r3341 r3346  
    10741074    ast = np.sqrt(np.diag(G))
    10751075    GS = G/np.outer(ast,ast)
    1076     uAmat = G2lat.Gmat2AB(GS)[0]
     1076    uAmat,uBmat = G2lat.Gmat2AB(GS)
    10771077    Mast = twopisq*np.multiply.outer(ast,ast)
    10781078    SGMT = np.array([ops[0].T for ops in SGData['SGOps']])
     
    10911091    Mag = np.sqrt(np.array([np.inner(mag,np.inner(mag,GS)) for mag in Gdata.T]))
    10921092    dGdM = np.repeat(Gdata[:,nxs,:],Nops,axis=1)
     1093   
    10931094    Gdata = np.inner(Gdata.T,SGMT).T            #apply sym. ops.
    10941095    if SGData['SGInv'] and not SGData['SGFixed']:
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