Changeset 4328 for trunk/GSASIIpwd.py


Ignore:
Timestamp:
Feb 25, 2020 6:47:52 AM (20 months ago)
Author:
vondreele
Message:

Add FITTED_SCALE to RMCprofile options
fix issues with changing atom sequence in RMCProfile
remove read of x-ray G(R) - it isn't used by RMCProfile but is generated from F(Q)

File:
1 edited

Legend:

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Added
Removed
  • trunk/GSASIIpwd.py

    r4324 r4328  
    24332433            fl.write('  > CONSTANT_OFFSET 0.000\n')
    24342434            fl.write('  > NO_FITTED_OFFSET\n')
     2435            if RMCPdict['FitScale']:
     2436                fl.write('  > FITTED_SCALE\n')
     2437            else:
     2438                fl.write('  > NO_FITTED_SCALE\n')
    24352439            if Files[File][3] !='RMC':
    24362440                fl.write('  > %s\n'%Files[File][3])
    24372441            if 'reciprocal' in File:
    24382442                fl.write('  > CONVOLVE ::\n')
    2439                 fl.write('  > NO_FITTED_SCALE\n')
    24402443                if 'Xray' in File:
    24412444                    fl.write('  > RECIPROCAL_SPACE_FIT :: 1 %d 1\n'%lines)
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