Changeset 3818 for trunk/GSASIImath.py


Ignore:
Timestamp:
Feb 12, 2019 11:58:33 AM (3 years ago)
Author:
vondreele
Message:

implement sqrt(I) plots for multiplots & contour plots - key 's' to toggle. Old 's' for select color scheme changed to 'S' (capital S).

File:
1 edited

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  • trunk/GSASIImath.py

    r3808 r3818  
    12961296    Mast: array orthogonalization matrix for Uij
    12971297    '''
    1298     ngl = 32
     1298    ngl = 36                    #selected for integer steps for 1/6,1/4,1/3...
    12991299    glTau,glWt = pwd.pygauleg(0.,1.,ngl)         #get Gauss-Legendre intervals & weights
    13001300    Ax = np.array(XSSdata[:3]).T   #atoms x waves x sin pos mods
     
    13491349        MmodA = Am[:,:,:,nxs]*np.sin(twopi*tauM[nxs,:,nxs,:]) #atoms X waves X 3 X ngl
    13501350        MmodB = Bm[:,:,:,nxs]*np.cos(twopi*tauM[nxs,:,nxs,:]) #ditto
    1351         Mmod = np.array([MmodB,MmodA])
    1352         Mmod = np.sum(Mmod,axis=2)                #atoms X 3 X ngl; sum waves
    1353         Mmod = np.swapaxes(Mmod,1,-1)       #ReIm,mxyz,Ntau,Natm
     1351        Mmod = np.sum(MmodA+MmodB,axis=1)
     1352        Mmod = np.swapaxes(Mmod,1,2)    #Mxyz,Ntau,Natm
    13541353    else:
    13551354        Mmod = 1.0
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