.gitignore
.readthedocs.yml
.travis.yml
LICENSE.md
README.md
gui.py
requirements.txt
script.py
setup.py
.idea/.gitignore
.idea/debyetools.iml
.idea/misc.xml
.idea/modules.xml
.idea/vcs.xml
.idea/inspectionProfiles/profiles_settings.xml
debyetools/__init__.py
debyetools/anharmonicity.py
debyetools/aux_functions.py
debyetools/debfunct.py
debyetools/defects.py
debyetools/electronic.py
debyetools/fs_compound_db.py
debyetools/ndeb.py
debyetools/pairanalysis.py
debyetools/poisson.py
debyetools/potentials.py
debyetools/vibrational.py
debyetools.egg-info/PKG-INFO
debyetools.egg-info/SOURCES.txt
debyetools.egg-info/dependency_links.txt
debyetools.egg-info/requires.txt
debyetools.egg-info/top_level.txt
debyetools/tpropsgui/__init__.py
debyetools/tpropsgui/elements.py
debyetools/tpropsgui/events.py
debyetools/tpropsgui/functions0.py
debyetools/tpropsgui/gui.py
debyetools/tpropsgui/layout.py
debyetools/tpropsgui/plotter.py
debyetools/tpropsgui/plotter_class.py
debyetools/tpropsgui/toolbox.py
docs/Makefile
docs/conf.py
docs/index.rst
docs/make.bat
docs/source/api/contributions.rst
docs/source/api/fsdb.rst
docs/source/api/gui.rst
docs/source/api/installation.rst
docs/source/api/nDeb.rst
docs/source/api/pairanalysis.rst
docs/source/api/plot.rst
docs/source/api/images/E(V)_plot.jpeg
docs/source/api/images/V(T)_plot.jpeg
docs/source/api/images/tprops_EOS_params.jpeg
docs/source/api/images/tprops_FSparams.jpeg
docs/source/api/images/tprops_F_min.jpeg
docs/source/api/images/tprops_F_min.jpg
docs/source/api/images/tprops_eval.jpeg
docs/source/api/images/tprops_eval_plot.jpeg
docs/source/api/images/tprops_figedit.jpeg
docs/source/api/images/tprops_figedit.jpg
docs/source/api/images/tprops_fsparams_plot.jpeg
docs/source/api/images/tprops_gui.jpeg
docs/source/api/images/tprops_plot.jpeg
docs/source/api/images/tprops_plot_EOS_fit.jpeg
docs/source/examples/Al_fcc.py
pairanalysis/__init__.py
pairanalysis/aux_functions.py
pairanalysis/calculator.py
tests/Cp_tests.py
tests/EOS_fitting_tests.py
tests/FS_comp_DB_fitting_tests.py
tests/__init__.py
tests/calculator_tests.py
tests/complete_test.py
tests/electronic_fitting_tests.py
tests/gui_test.py
tests/min_F_tests.py
tests/pairanalysis_tests.py
tests/poissons_ratio_tests.py
tests/inpt_files/table_MW
tests/inpt_files/Al2O3_R3c/CONTCAR.5
tests/inpt_files/Al2O3_R3c/OUTCAR.eps
tests/inpt_files/Al2O3_R3c/SUMMARY.fcc
tests/inpt_files/Al_fcc/CONTCAR.5
tests/inpt_files/Al_fcc/DOSCAR.EvV.-0.00
tests/inpt_files/Al_fcc/DOSCAR.EvV.-0.01
tests/inpt_files/Al_fcc/DOSCAR.EvV.-0.02
tests/inpt_files/Al_fcc/DOSCAR.EvV.-0.03
tests/inpt_files/Al_fcc/DOSCAR.EvV.-0.04
tests/inpt_files/Al_fcc/DOSCAR.EvV.-0.05
tests/inpt_files/Al_fcc/DOSCAR.EvV.-0.06
tests/inpt_files/Al_fcc/DOSCAR.EvV.-0.07
tests/inpt_files/Al_fcc/DOSCAR.EvV.-0.08
tests/inpt_files/Al_fcc/DOSCAR.EvV.-0.09
tests/inpt_files/Al_fcc/DOSCAR.EvV.-0.10
tests/inpt_files/Al_fcc/DOSCAR.EvV.0.01
tests/inpt_files/Al_fcc/DOSCAR.EvV.0.02
tests/inpt_files/Al_fcc/DOSCAR.EvV.0.03
tests/inpt_files/Al_fcc/DOSCAR.EvV.0.04
tests/inpt_files/Al_fcc/DOSCAR.EvV.0.05
tests/inpt_files/Al_fcc/DOSCAR.EvV.0.06
tests/inpt_files/Al_fcc/DOSCAR.EvV.0.07
tests/inpt_files/Al_fcc/DOSCAR.EvV.0.08
tests/inpt_files/Al_fcc/DOSCAR.EvV.0.09
tests/inpt_files/Al_fcc/DOSCAR.EvV.0.10
tests/inpt_files/Al_fcc/OUTCAR.eps
tests/inpt_files/Al_fcc/SUMMARY.fcc