Changeset 358


Ignore:
Timestamp:
Aug 30, 2011 12:33:09 PM (11 years ago)
Author:
vondreele
Message:

small fixes

Location:
trunk
Files:
2 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIpwd.py

    r357 r358  
    639639def getdFCJVoigt3(pos,sig,gam,shl,xdata):
    640640   
    641     Df,dFdp,dFds,dFdg,dFdsh = pyd.pydpsvfcj(len(xdata),xdata-pos,pos,sig,gam,shl) #might have to make these numpy arrays?
     641    Df,dFdp,dFds,dFdg,dFdsh = pyd.pydpsvfcj(len(xdata),xdata-pos,pos,sig,gam,shl)
    642642    sumDf = np.sum(Df)
    643643    return Df,dFdp,dFds,dFdg,dFdsh
  • trunk/GSASIIstruct.py

    r357 r358  
    11271127        tanPos = tand(refl[5]/2.0)
    11281128        sig = U*tanPos**2+V*tanPos+W        #save peak sigma
     1129        sig = max(0.001,sig)
    11291130        gam = X/cosd(refl[5]/2.0)+Y*tanPos+GetSampleGam(refl,wave,G,phfx,calcControls,parmDict,sizeEllipse) #save peak gamma
     1131        gam = max(0.01,gam)
    11301132        return sig,gam
    11311133               
     
    13521354                    iFin = min(lenX,iFin+kdelt)
    13531355                    if iBeg-iFin:
    1354                         dMdipk2 = G2pwd.getdFCJVoigt3(pos2,refl[6],refl[7],shl,xdata[iBeg:iFin])
     1356                        dMdipk2 = G2pwd.getdFCJVoigt3(pos2,refl[6],refl[7],shl,x[iBeg:iFin])
    13551357                        for i in range(1,5):
    13561358                            dMdpk[i][iBeg:iFin] += 100.*dx*Icorr*refl[8]*kRatio*dMdipk2[i]
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