LICENSE.txt
MANIFEST.in
README.md
setup.py
pydmclab.egg-info/PKG-INFO
pydmclab.egg-info/SOURCES.txt
pydmclab.egg-info/dependency_links.txt
pydmclab.egg-info/requires.txt
pydmclab.egg-info/top_level.txt
pydmclab/core/README.md
pydmclab/core/__init__.py
pydmclab/core/alloys.py
pydmclab/core/comp.py
pydmclab/core/defects.py
pydmclab/core/energies.py
pydmclab/core/hulls.py
pydmclab/core/mag.py
pydmclab/core/query.py
pydmclab/core/struc.py
pydmclab/data/.DS_Store
pydmclab/data/README.md
pydmclab/data/__init__.py
pydmclab/data/configs.py
pydmclab/data/features.py
pydmclab/data/plotting_configs.py
pydmclab/data/thermochem.py
pydmclab/data/data/221220_dmc-mus.json
pydmclab/data/data/230122_dmc-mus.json
pydmclab/data/data/230614_dmc-mus.json
pydmclab/data/data/231002_dmc-mus.json
pydmclab/data/data/_batch_vasp_analysis_configs.yaml
pydmclab/data/data/_launch_configs.yaml
pydmclab/data/data/_partition_configs.yaml
pydmclab/data/data/_slurm_configs.yaml
pydmclab/data/data/_sub_configs.yaml
pydmclab/data/data/_vasp_configs.yaml
pydmclab/data/data/atomic_electronegativities.json
pydmclab/data/data/atomic_masses.json
pydmclab/data/data/bartel2019_npj_reference-energies.csv
pydmclab/data/data/colors.json
pydmclab/data/data/elemental_gibbs_energies_T.json
pydmclab/data/data/gas_thermo_data_nist.json
pydmclab/data/data/mp2020_compatibility_dmus.json
pydmclab/data/data/mus_from_bartel2019_npj.json
pydmclab/data/data/mus_from_dmc_no_corrections.json
pydmclab/data/data/mus_from_mp_no_corrections.json
pydmclab/data/data/shannon_revised_effective_ionic_radii.json
pydmclab/data/data/ssub.dat
pydmclab/data/data/ssub.json
pydmclab/dev/Untitled-2.py
pydmclab/dev/__init__.py
pydmclab/dev/defects.py
pydmclab/dev/echem.py
pydmclab/dev/entries.py
pydmclab/dev/grand.py
pydmclab/dev/mixing_pmg.py
pydmclab/dev/phonons.py
pydmclab/dev/query_new_mp_api.py
pydmclab/hpc/.DS_Store
pydmclab/hpc/README.md
pydmclab/hpc/__init__.py
pydmclab/hpc/analyze.py
pydmclab/hpc/helpers.py
pydmclab/hpc/launch.py
pydmclab/hpc/submit.py
pydmclab/hpc/vasp.py
pydmclab/mlp/chgnet_md.py
pydmclab/mlp/md.py
pydmclab/mlp/phonons.py
pydmclab/mlp/relax.py
pydmclab/plotting/__init__.py
pydmclab/plotting/bs.py
pydmclab/plotting/dos.py
pydmclab/plotting/pd.py
pydmclab/plotting/utils.py
pydmclab/utils/README.md
pydmclab/utils/__init__.py
pydmclab/utils/handy.py
tests/test_comp.py
tests/test_energies.py
tests/test_helpers.py
tests/test_hulls.py
tests/test_launch.py
tests/test_mag.py
tests/test_query.py
tests/test_struc.py
tests/test_submit.py
tests/test_vasp.py