RMCProfile interface - output files from FastGR as input files into RMCProfile #41
Labels
GUI: Calcualte G(r) Tab
The Calculate G(r) Tab
Priority: Low
Low priority feature / fix
Type: Enhancement
Added feature or enhancement of current features
Will give user initial input files to start a reverse Monte Carlo modeling analysis in RMCProfile.
Will need fields in FastGR for:
1) supercell dimensions
2) an input GSAS file
3) an input CIF file
4) additional options - polyhedral constraints, bond distance constraints, etc.
Would probably output a RMC directory with all files inside to launch RMCProfile from.
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