Changeset 3568 for trunk/GSASIImath.py


Ignore:
Timestamp:
Aug 23, 2018 3:40:51 PM (3 years ago)
Author:
vondreele
Message:

finish interface with k-SUBGROUPSMAG output - selection of space group & transformation to make magnetic phase

File:
1 edited

Legend:

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  • trunk/GSASIImath.py

    r3434 r3568  
    36603660    norm = 1./(np.sqrt(3.)*np.sqrt(2.*np.pi)**3)
    36613661   
    3662 #    def noDuplicate(xyz,peaks,Amat):
    3663 #        XYZ = np.inner(Amat,xyz)
    3664 #        if True in [np.allclose(XYZ,np.inner(Amat,peak),atol=0.5) for peak in peaks]:
    3665 #            print ' Peak',xyz,' <0.5A from another peak'
    3666 #            return False
    3667 #        return True
    3668 #                           
    36693662    def fixSpecialPos(xyz,SGData,Amat):
    36703663        equivs = G2spc.GenAtom(xyz,SGData,Move=True)
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