.gitignore
LICENSE
README.md
pyproject.toml
run_local.py
setup.py
.github/workflows/test-ubuntu.yml
doc/Makefile
doc/conf.py
doc/index.rst
doc/_static/empty
doc/_templates/indexsidebar.html
larixite/__init__.py
larixite/amcsd.py
larixite/amcsd_cif1.db
larixite/amcsd_utils.py
larixite/cif_cluster.py
larixite/fdmnes.py
larixite/gformat.py
larixite/physical_constants.py
larixite/struct2xas.py
larixite/utils.py
larixite/version.py
larixite/xrd_utils.py
larixite.egg-info/PKG-INFO
larixite.egg-info/SOURCES.txt
larixite.egg-info/dependency_links.txt
larixite.egg-info/requires.txt
larixite.egg-info/top_level.txt
larixite/struct/__init__.py
larixite/struct/xas.py
larixite/struct/xas_cif.py
larixite/struct/xas_xyz.py
larixite/templates/fdmnes.tmpl
larixite/templates/fdmnes_xas.tmpl
larixite/templates/feff_exafs.tmpl
larixite/webapp/__init__.py
larixite/webapp/webapp.py
larixite/webapp/static/ixas_logo.ico
larixite/webapp/static/style.css
larixite/webapp/templates/about.html
larixite/webapp/templates/index.html
larixite/webapp/templates/layout.html
larixite/webapp/templates/upload.html
notebooks/workflow_fdmnes.ipynb
tests/test_cif2feffinp.py
tests/test_fdmnes.py
tests/test_struct.py
tests/structs/CuO6_D4h.xyz
tests/structs/Fe2.646Ti.354O4_magnetite_Bosi2009_AMCSD4820.cif
tests/structs/Fe3O4_cub_fracOcc_Levy2012_ICSD-183969.cif
tests/structs/GaBr_multi-frame.xyz
tests/structs/K.87H6.13Fe2.79S2O14_jarosite_Basciano2007_AMCSD4438.cif
tests/structs/VO6_Oh.xyz
tests/structs/ZnO_wurtzite_Weber1923_COD-1011259.cif