.babelrc
.eslintrc.json
.gitignore
.mocharc.json
.nycrc
.prettierrc
LICENSE.md
README.md
package-lock.json
package.json
pyproject.toml
tsconfig-transpile.json
tsconfig.json
.github/workflows/cicd.yml
.husky/pre-commit
scripts/generate-mixins.ts
src/js/MetaProperty.ts
src/js/Property.ts
src/js/PropertyFactory.ts
src/js/ProtoProperty.ts
src/js/index.ts
src/js/settings.ts
src/js/types.ts
src/js/charts/highcharts.ts
src/js/generated/AtomicConstraintsPropertySchemaMixin.ts
src/js/generated/AtomicForcesPropertySchemaMixin.ts
src/js/generated/AveragePotentialProfilePropertySchemaMixin.ts
src/js/generated/BandGapsPropertySchemaMixin.ts
src/js/generated/BandStructurePropertySchemaMixin.ts
src/js/generated/BoundaryConditionsPropertySchemaMixin.ts
src/js/generated/ChargeDensityProfilePropertySchemaMixin.ts
src/js/generated/ConvergenceElectronicPropertySchemaMixin.ts
src/js/generated/ConvergenceIonicPropertySchemaMixin.ts
src/js/generated/DensityOfStatesPropertySchemaMixin.ts
src/js/generated/DielectricTensorPropertySchemaMixin.ts
src/js/generated/FermiEnergyPropertySchemaMixin.ts
src/js/generated/FileContentPropertySchemaMixin.ts
src/js/generated/FinalStructurePropertySchemaMixin.ts
src/js/generated/HOMOEnergyPropertySchemaMixin.ts
src/js/generated/HubbardUPropertySchemaMixin.ts
src/js/generated/HubbardVNNPropertySchemaMixin.ts
src/js/generated/HubbardVPropertySchemaMixin.ts
src/js/generated/IonizationPotentialElementalPropertySchemaMixin.ts
src/js/generated/IsRelaxedPropertySchemaMixin.ts
src/js/generated/JupyterNotebookEndpointPropertySchemaMixin.ts
src/js/generated/LUMOEnergyPropertySchemaMixin.ts
src/js/generated/MagneticMomentsPropertySchemaMixin.ts
src/js/generated/MetaPropertyHolderSchemaMixin.ts
src/js/generated/PhononDOSPropertySchemaMixin.ts
src/js/generated/PhononDispersionsPropertySchemaMixin.ts
src/js/generated/PotentialProfilePropertySchemaMixin.ts
src/js/generated/PressurePropertySchemaMixin.ts
src/js/generated/PropertyHolderSchemaMixin.ts
src/js/generated/ProtoPropertyHolderSchemaMixin.ts
src/js/generated/PseudopotentialMetaPropertySchemaMixin.ts
src/js/generated/README.md
src/js/generated/ReactionEnergyBarrierPropertySchemaMixin.ts
src/js/generated/ReactionEnergyProfilePropertySchemaMixin.ts
src/js/generated/StressTensorPropertySchemaMixin.ts
src/js/generated/SurfaceEnergyPropertySchemaMixin.ts
src/js/generated/TotalEnergyContributionsPropertySchemaMixin.ts
src/js/generated/TotalEnergyPropertySchemaMixin.ts
src/js/generated/TotalForcePropertySchemaMixin.ts
src/js/generated/ValenceBandOffsetPropertySchemaMixin.ts
src/js/generated/WavefunctionAmplitudePropertySchemaMixin.ts
src/js/generated/WorkflowPropertySchemaMixin.ts
src/js/generated/ZeroPointEnergyPropertySchemaMixin.ts
src/js/holders/MetaPropertyHolder.ts
src/js/holders/PropertyHolder.ts
src/js/holders/ProtoPropertyHolder.ts
src/js/holders/mixins/MetaPropertyHolderMixin.ts
src/js/holders/mixins/PropertyHolderMixin.ts
src/js/holders/mixins/ProtoPropertyHolderMixin.ts
src/js/meta_properties/PseudopotentialMetaProperty.ts
src/js/properties/include/mixins/2d_plot.ts
src/js/properties/non-scalar/AveragePotentialProfileProperty.ts
src/js/properties/non-scalar/BandGapsProperty.ts
src/js/properties/non-scalar/BandStructureProperty.ts
src/js/properties/non-scalar/ChargeDensityProfileProperty.ts
src/js/properties/non-scalar/DensityOfStatesProperty.ts
src/js/properties/non-scalar/DielectricTensorProperty.ts
src/js/properties/non-scalar/FileContentProperty.ts
src/js/properties/non-scalar/FinalStructureProperty.ts
src/js/properties/non-scalar/HubbardUProperty.ts
src/js/properties/non-scalar/HubbardVNNProperty.ts
src/js/properties/non-scalar/HubbardVProperty.ts
src/js/properties/non-scalar/IsRelaxedProperty.ts
src/js/properties/non-scalar/JupyterNotebookEndpointProperty.ts
src/js/properties/non-scalar/PhononDOSProperty.ts
src/js/properties/non-scalar/PhononDispersionsProperty.ts
src/js/properties/non-scalar/PotentialProfileProperty.ts
src/js/properties/non-scalar/ReactionEnergyProfileProperty.ts
src/js/properties/non-scalar/WavefunctionAmplitudeProperty.ts
src/js/properties/non-scalar/WorkflowProperty.ts
src/js/properties/non-scalar/convergence/ConvergenceElectronicProperty.ts
src/js/properties/non-scalar/convergence/ConvergenceIonicProperty.ts
src/js/properties/object/TotalEnergyContributionsProperty.ts
src/js/properties/scalar/FermiEnergyProperty.ts
src/js/properties/scalar/HOMOEnergyProperty.ts
src/js/properties/scalar/IonizationPotentialElementalProperty.ts
src/js/properties/scalar/LUMOEnergyProperty.ts
src/js/properties/scalar/PressureProperty.ts
src/js/properties/scalar/ReactionEnergyBarrierProperty.ts
src/js/properties/scalar/SurfaceEnergyProperty.ts
src/js/properties/scalar/TotalEnergyProperty.ts
src/js/properties/scalar/TotalForceProperty.ts
src/js/properties/scalar/ValenceBandOffsetProperty.ts
src/js/properties/scalar/ZeroPointEnergyProperty.ts
src/js/properties/tensor/AtomicForcesProperty.ts
src/js/properties/tensor/MagneticMomentsProperty.ts
src/js/properties/tensor/StressTensorProperty.ts
src/js/proto_properties/AtomicConstraintsProperty.ts
src/js/proto_properties/BoundaryConditionsProperty.ts
src/py/mat3ra/__init__.py
src/py/mat3ra/prode/__init__.py
src/py/mat3ra_prode.egg-info/PKG-INFO
src/py/mat3ra_prode.egg-info/SOURCES.txt
src/py/mat3ra_prode.egg-info/dependency_links.txt
src/py/mat3ra_prode.egg-info/requires.txt
src/py/mat3ra_prode.egg-info/top_level.txt
tests/setup.js
tests/js/holders.test.ts
tests/js/property_factory.test.ts
tests/js/setup.ts
tests/js/meta_properties/pseudopotential.test.ts
tests/js/mixins/2d-plot-mixin.test.ts
tests/js/properties/atomic_forces.test.ts
tests/js/properties/average_potential_profile.test.ts
tests/js/properties/band_gaps.test.ts
tests/js/properties/band_structure.test.ts
tests/js/properties/convergence_electronic.test.ts
tests/js/properties/convergence_ionic.test.ts
tests/js/properties/density_of_states.test.ts
tests/js/properties/dielectric_tensor.test.ts
tests/js/properties/fermi_energy.test.ts
tests/js/properties/file_content.test.ts
tests/js/properties/final_structure.test.ts
tests/js/properties/homo_energy.test.ts
tests/js/properties/hubbard_u.test.ts
tests/js/properties/ionization_potential_elemental.test.ts
tests/js/properties/is_relaxed.test.ts
tests/js/properties/jupyter_notebook_endpoint.test.ts
tests/js/properties/lumo_energy.test.ts
tests/js/properties/magnetic_moments.test.ts
tests/js/properties/phonon_dispersions.test.ts
tests/js/properties/phonon_dos.test.ts
tests/js/properties/pressure.test.ts
tests/js/properties/reaction_energy_barrier.test.ts
tests/js/properties/stress_tensor.test.ts
tests/js/properties/surface_energy.test.ts
tests/js/properties/total_energy.test.ts
tests/js/properties/total_energy_contributions.test.ts
tests/js/properties/total_forces.test.ts
tests/js/properties/valence_band_offset.test.ts
tests/js/properties/wavefunction_amplitude.test.ts
tests/js/properties/workflow_property.test.ts
tests/js/properties/zero_point_energy.test.ts
tests/js/proto_properties/atomic_constraints.test.ts
tests/js/proto_properties/boundary_conditions.test.ts
tests/py/test_sample.py