Changeset 1995


Ignore:
Timestamp:
Oct 9, 2015 10:07:14 AM (6 years ago)
Author:
vondreele
Message:

fix SS atom plotting problem
SS map scale issue

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIImath.py

    r1993 r1995  
    10921092   
    10931093def posFourier(tau,psin,pcos,smul):
    1094     A = np.array([ps[:,np.newaxis]*np.sin(2*np.pi*(i+1)*tau) for i,ps in enumerate(psin)])*smul
     1094    A = np.array([ps[:,np.newaxis]*np.sin(2*np.pi*(i+1)*tau) for i,ps in enumerate(psin)])  #*smul
    10951095    B = np.array([pc[:,np.newaxis]*np.cos(2*np.pi*(i+1)*tau) for i,pc in enumerate(pcos)])
    10961096    return np.sum(A,axis=0)+np.sum(B,axis=0)
     
    23222322                    h,k,l,m = -hkl+Hmax
    23232323                    Fhkl[h,k,l,m] = dF*phasem
    2324     SSrho = fft.fftn(fft.fftshift(Fhkl))/(10.*cell[6])          #4D map
     2324    SSrho = fft.fftn(fft.fftshift(Fhkl))/cell[6]          #4D map
    23252325    rho = fft.fftn(fft.fftshift(Fhkl[:,:,:,maxM+1]))/cell[6]    #3D map
    23262326    map4DData['rho'] = np.real(SSrho)
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