genSupercells.py
Last updated: 08/05/2024
genSupercells(unitcell, nStacks, fltLayer, probList, sVecList)
Generates all supercell models as CIFs within a given parameter space, currently displacement-type construction only
Parameters:
- unitcell (Unitcell) – base unit cell
- nStacks (int) – number of unit cell stacks in supercell
- fltLayer (str) – faulted layer name
- probList (array_like) – list of stacking fault probabilities
- sVecList (array_like) – list of displacement vectors [x,y,z] in fractional coordinates
By Sinclair R. Combs
Copyright 2023 Colorado School of Mines