Changeset 4341 for trunk/GSASIIpwd.py


Ignore:
Timestamp:
Mar 5, 2020 8:15:36 AM (20 months ago)
Author:
vondreele
Message:

use size & mustrain correctly in making RMCProfile .inst file

File:
1 edited

Legend:

Unmodified
Added
Removed
  • trunk/GSASIIpwd.py

    r4337 r4341  
    21192119        if useSamBrd[0]:
    21202120            if 'ellipsoidal' not in Size[0]:    #take the isotropic term only
    2121                 Xsb = 1.e-4*difC/(2.*Size[1][0])
     2121                Xsb = 1.e-4*difC/Size[1][0]
    21222122        if useSamBrd[1]:
    21232123            if 'generalized' not in Mustrain[0]:    #take the isotropic term only
    2124                 Ysb = 1.e-6*difC*Mustrain[1][0]/2.
     2124                Ysb = 1.e-6*difC*Mustrain[1][0]
    21252125        prms = ['Bank',
    21262126                'difC','difA','Zero','2-theta',
     
    21352135        fl.write('%12.6e%14.6e%14.6e\n'%(inst[prms[5]][1],inst[prms[6]][1],inst[prms[7]][1]))
    21362136        fl.write('%12.6e%14.6e%14.6e\n'%(inst[prms[8]][1],inst[prms[9]][1],inst[prms[10]][1]))   
    2137         fl.write('%12.6e%14.6e%14.6e%14.6e%14.6e\n'%(inst[prms[11]][1],inst[prms[12]][1]+Xsb,inst[prms[13]][1]+Ysb,0.0,0.0))
     2137        fl.write('%12.6e%14.6e%14.6e%14.6e%14.6e\n'%(inst[prms[11]][1],inst[prms[12]][1]+Ysb,inst[prms[13]][1]+Xsb,0.0,0.0))
    21382138        fl.close()
    21392139    else:
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