.gitignore
.tagpr
LICENSE
README.md
reaxfit_sample.ipynb
setup.py
.github/release.yml
.github/workflows/tagpr.yml
example/README.md
example/CoCO/0.xyz
example/CoCO/1.xyz
example/CoCO/2.xyz
example/CoCO/3.xyz
example/CoCO/4.xyz
example/CoCO/5.xyz
example/CoCO/6.xyz
example/CoCO/batch.sh
example/CoCO/chk.py
example/CoCO/config.json
example/CoCO/data0
example/CoCO/ffield.temp
example/CoCO/refE
example/CoCO/refF
example/CoCO/run.py
src/reaxfit/__init__.py
src/reaxfit/_version.py
src/reaxfit/reaxfit.py
src/reaxfit.egg-info/PKG-INFO
src/reaxfit.egg-info/SOURCES.txt
src/reaxfit.egg-info/dependency_links.txt
src/reaxfit.egg-info/requires.txt
src/reaxfit.egg-info/top_level.txt