.babelrc
.eslintrc.json
.gitignore
.nycrc
.pre-commit-config.yaml
.prettierrc
LICENSE.md
README.md
build_workflows.js
package-lock.json
package.json
pyproject.toml
.github/workflows/cicd.yml
.husky/pre-commit
src/js/enums.js
src/js/index.js
src/js/patch.js
src/js/utils.js
src/js/context/context.js
src/js/context/providers.js
src/js/context/mixins/ApplicationContextMixin.js
src/js/context/mixins/JobContextMixin.js
src/js/context/mixins/MaterialContextMixin.js
src/js/context/mixins/MaterialsContextMixin.js
src/js/context/mixins/MaterialsSetContextMixin.js
src/js/context/mixins/MethodDataContextMixin.js
src/js/context/mixins/WorkflowContextMixin.js
src/js/context/providers/BoundaryConditionsFormDataProvider.js
src/js/context/providers/CollinearMagnetizationContextProvider.js
src/js/context/providers/HubbardContextProviderLegacy.js
src/js/context/providers/HubbardJContextProvider.js
src/js/context/providers/HubbardUContextProvider.js
src/js/context/providers/HubbardVContextProvider.js
src/js/context/providers/IonDynamicsContextProvider.js
src/js/context/providers/MLSettingsContextProvider.js
src/js/context/providers/MLTrainTestSplitContextProvider.js
src/js/context/providers/NEBFormDataProvider.js
src/js/context/providers/NonCollinearMagnetizationContextProvider.js
src/js/context/providers/PlanewaveCutoffsContextProvider.js
src/js/context/providers/PointsGridFormDataProvider.js
src/js/context/providers/PointsPathFormDataProvider.js
src/js/context/providers/settings.js
src/js/context/providers/by_application/ExecutableContextProvider.js
src/js/context/providers/by_application/espresso/QENEBContextProvider.js
src/js/context/providers/by_application/espresso/QEPWXContextProvider.js
src/js/context/providers/by_application/nwchem/NWChemTotalEnergyContextProvider.js
src/js/context/providers/by_application/vasp/VASPContextProvider.js
src/js/context/providers/by_application/vasp/VASPNEBContextProvider.js
src/js/subworkflows/convergence.js
src/js/subworkflows/create.js
src/js/subworkflows/index.js
src/js/subworkflows/subworkflow.js
src/js/subworkflows/convergence/factory.js
src/js/subworkflows/convergence/non_uniform_kgrid.js
src/js/subworkflows/convergence/parameter.js
src/js/subworkflows/convergence/uniform_kgrid.js
src/js/subworkflows/dynamic/index.js
src/js/subworkflows/dynamic/surfaceEnergy.js
src/js/subworkflows/dynamic/espresso/getQpointIrrep.js
src/js/units/assertion.js
src/js/units/assignment.js
src/js/units/base.js
src/js/units/condition.js
src/js/units/execution.js
src/js/units/factory.js
src/js/units/index.js
src/js/units/io.js
src/js/units/map.js
src/js/units/processing.js
src/js/units/reduce.js
src/js/units/subworkflow.js
src/js/units/builders/AssertionUnitConfigBuilder.js
src/js/units/builders/AssignmentUnitConfigBuilder.js
src/js/units/builders/ExecutionUnitConfigBuilder.js
src/js/units/builders/IOUnitConfigBuilder.js
src/js/units/builders/UnitConfigBuilder.js
src/js/units/builders/index.js
src/js/workflows/create.js
src/js/workflows/default.js
src/js/workflows/index.js
src/js/workflows/relaxation.js
src/js/workflows/workflow.js
src/py/mat3ra/__init__.py
src/py/mat3ra/wode/__init__.py
src/py/mat3ra/wode/context/__init__.py
src/py/mat3ra/wode/context/providers/__init__.py
src/py/mat3ra/wode/context/providers/points_grid_data_provider.py
src/py/mat3ra/wode/context/providers/by_application/__init__.py
src/py/mat3ra/wode/context/providers/by_application/executable_context_provider.py
src/py/mat3ra/wode/context/providers/by_application/espresso/__init__.py
src/py/mat3ra/wode/context/providers/by_application/espresso/qe_pwx_context_provider.py
src/py/mat3ra/wode/mixins/__init__.py
src/py/mat3ra/wode/mixins/flowchart_units_manager.py
src/py/mat3ra/wode/subworkflows/__init__.py
src/py/mat3ra/wode/subworkflows/subworkflow.py
src/py/mat3ra/wode/units/__init__.py
src/py/mat3ra/wode/units/execution.py
src/py/mat3ra/wode/units/subworkflow.py
src/py/mat3ra/wode/units/unit.py
src/py/mat3ra/wode/workflows/__init__.py
src/py/mat3ra/wode/workflows/workflow.py
src/py/mat3ra_wode.egg-info/PKG-INFO
src/py/mat3ra_wode.egg-info/SOURCES.txt
src/py/mat3ra_wode.egg-info/dependency_links.txt
src/py/mat3ra_wode.egg-info/requires.txt
src/py/mat3ra_wode.egg-info/top_level.txt
tests/js/context.test.js
tests/js/espresso.test.js
tests/js/setup.js
tests/js/subworkflow.test.js
tests/js/unit.test.js
tests/js/workflow.test.js
tests/py/test_flowchart_units_manager.py
tests/py/test_subworkflow.py
tests/py/test_unit.py
tests/py/test_workflow.py
tests/py/context/test_points_grid_data_provider.py
tests/py/units/__init__.py
tests/py/units/test_subworkflow_unit.py