Ignore:
Timestamp:
May 25, 2020 8:56:02 PM (17 months ago)
Author:
vondreele
Message:

Change Force=True for anisotropic atms in call to GenAtom? in FillUnitCell? - otherwise breaks RMCProfile data prep
fix a 'Va' atom check in RMCProfile setup

File:
1 edited

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  • trunk/GSASIIlattice.py

    r4421 r4434  
    505505        if atom[cia] == 'A':
    506506            Uij = atom[cia+2:cia+8]
    507             result = G2spc.GenAtom(xyz,SGData,False,Uij,False)
     507            result = G2spc.GenAtom(xyz,SGData,False,Uij,True)
    508508            for item in result:
    509509#                if item[0][2] >= .95: item[0][2] -= 1.
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