Changeset 4483


Ignore:
Timestamp:
Jun 12, 2020 2:19:25 PM (16 months ago)
Author:
vondreele
Message:

fix to MagMod? /2 error
fix bug in HKLF reflection list

Location:
trunk
Files:
3 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIImath.py

    r4479 r4483  
    14391439    if SGData['SGInv']:
    14401440        SGMT = np.vstack((SGMT,-SGMT))
    1441         Sinv =np.vstack((Sinv,-Sinv))
     1441        Sinv = np.vstack((Sinv,-Sinv))
    14421442        SGT = np.vstack((SGT,-SGT))
    14431443    SGMT = np.vstack([SGMT for cen in SGData['SGCen']])
     
    14461446    if SGData['SGGray']:
    14471447        SGMT = np.vstack((SGMT,SGMT))
    1448         Sinv =np.vstack((Sinv,Sinv))
     1448        Sinv = np.vstack((Sinv,Sinv))
    14491449        SGT = np.vstack((SGT,SGT+.5))%1.
    14501450    mst = Sinv[:,3,:3]
     
    14541454    tauT =  TA[nxs,:,:] + epsinv[nxs,:,nxs]*(glTau[:,nxs,nxs]-SGT[:,3][nxs,:,nxs]+phi[nxs,:,:])
    14551455    modind = np.arange(nWaves)+1.
    1456     phase = (modind[:,nxs,nxs]*tauT)     #Nops,Natm,Nwave
     1456    phase = modind[:,nxs,nxs]*tauT     #Nops,Natm,Nwave
    14571457    psin = np.sin(twopi*phase)
    14581458    pcos = np.cos(twopi*phase)
    1459     MmodA = np.sum(Am[nxs,nxs,:,:,:]*pcos[:,:,:,nxs,nxs],axis=3)/2.    #cos term
    1460     MmodB = np.sum(Bm[nxs,nxs,:,:,:]*psin[:,:,:,nxs,nxs],axis=3)/2.    #sin term
     1459    MmodA = np.sum(Am[nxs,nxs,:,:,:]*pcos[:,:,:,nxs,nxs],axis=3)    #cos term
     1460    MmodB = np.sum(Bm[nxs,nxs,:,:,:]*psin[:,:,:,nxs,nxs],axis=3)    #sin term
    14611461    MmodA = np.sum(SGMT[nxs,:,nxs,:,:]*MmodA[:,:,:,nxs,:],axis=-1)*SGData['MagMom'][nxs,:,nxs,nxs]
    14621462    MmodB = np.sum(SGMT[nxs,:,nxs,:,:]*MmodB[:,:,:,nxs,:],axis=-1)*SGData['MagMom'][nxs,:,nxs,nxs]
    1463     return MmodA,MmodB    #Ntau,Nops,Natm,,Mxyz; cos & sin parts; sum matches drawn atom moments
     1463    return MmodA,MmodB    #Ntau,Nops,Natm,Mxyz; cos & sin parts; sum matches drawn atom moments
    14641464       
    14651465def Modulation(H,HP,nWaves,Fmod,Xmod,Umod,glTau,glWt):
  • trunk/GSASIIpwd.py

    r4466 r4483  
    27782778    return rname
    27792779
    2780 
    27812780def MakefullrmcPDB(Name,Phase,RMCPdict):
    27822781    generalData = Phase['General']
  • trunk/GSASIIpwdGUI.py

    r4436 r4483  
    47364736                        histName = G2frame.GPXtree.GetItemText(G2frame.PatternId)
    47374737                        histData = Histograms[histName]
    4738                         muStrData = histData['Mustrain']
    4739                         sizeData = histData['Size']
    47404738                    except:
    47414739                        if GSASIIpath.GetConfigValue('debug'):
     
    47474745            refs = refList
    47484746        else:
     4747            muStrData = histData['Mustrain']
     4748            sizeData = histData['Size']
    47494749            if len(data) > 1:
    47504750                G2frame.dataWindow.SelectPhase.Enable(True)
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