rigidsym

Symmetry-oriented crystal structure prediction with rigid bodies

Name		Name	Last commit message	Last commit date
Latest commit History 3 Commits
Data_CIF		Data_CIF
input_file		input_file
README.md		README.md
casecount.py		casecount.py
cellcheck.py		cellcheck.py
firstrelax.py		firstrelax.py
forcejump.py		forcejump.py
functions.py		functions.py
interprocess.py		interprocess.py
mc.py		mc.py
metropolis.py		metropolis.py
randommove.py		randommove.py
readinginput.py		readinginput.py
rigid.py		rigid.py
scale.py		scale.py
setup.py		setup.py
structureupdate.py		structureupdate.py
symdata.py		symdata.py
test.py		test.py
vasp2.sub		vasp2.sub

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