.gitignore
LICENSE
README.md
pyproject.toml
setup.py
gaussianutility/__init__.py
gaussianutility/com2vasp.py
gaussianutility/com2xyz.py
gaussianutility/freezeLayer.py
gaussianutility/gibbsTemp.py
gaussianutility/out2com.py
gaussianutility/out2xyz.py
gaussianutility/printE.py
gaussianutility/sortInput.py
gaussianutility/spectrum.py
gaussianutility/utilities.py
gaussianutility/vasp2com.py
gaussianutility/xyz2com.py
gaussianutility.egg-info/PKG-INFO
gaussianutility.egg-info/SOURCES.txt
gaussianutility.egg-info/dependency_links.txt
gaussianutility.egg-info/top_level.txt
test/3trimerPrism.SiAl.geom.com
test/3trimerPrism.SiAl.out
test/4tetramerPrism.SiAl.geom.com
test/4tetramerPrism.SiAl.out
test/5pentamerPrism.SiAl.geom.com
test/5pentamerPrism.SiAl.out
test/6hexamerPrism.SiAl.geom.com
test/6hexamerPrism.SiAl.out
test/7heptamerPrism.SiAl.geom.com
test/7heptamerPrism.SiAl.out
test/8octamerPrism.SiAl.geom.com
test/8octamerPrism.SiAl.out
test/com2vasp_ZSM5.com
test/vasp2com_ZSM5.vasp