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MANIFEST.in
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pyproject.toml
setup.py
versioneer.py
amstools/__init__.py
amstools/_version.py
amstools/analyze.py
amstools/lammps.py
amstools/qatoms.py
amstools/thermodynamics.py
amstools/utils.py
amstools.egg-info/PKG-INFO
amstools.egg-info/SOURCES.txt
amstools.egg-info/dependency_links.txt
amstools.egg-info/entry_points.txt
amstools.egg-info/requires.txt
amstools.egg-info/top_level.txt
amstools/calculators/__init__.py
amstools/calculators/dft/__init__.py
amstools/calculators/dft/aims.py
amstools/calculators/dft/base.py
amstools/calculators/dft/vasp.py
amstools/cli/__init__.py
amstools/cli/ams_calculation.py
amstools/cli/ams_collect.py
amstools/cli/ams_custodian_vasp.py
amstools/cli/ams_dft_manager.py
amstools/cli/ams_highthroughput.py
amstools/cli/ams_pipeline.py
amstools/cli/ams_webinterface.py
amstools/cli/pace_activelearning.py
amstools/highthroughput/__init__.py
amstools/highthroughput/generate_ht_pipeline_setup.py
amstools/highthroughput/utils.py
amstools/highthroughput/data/__init__.py
amstools/highthroughput/data/calculator_template_aims.yaml
amstools/highthroughput/data/calculator_template_vasp.yaml
amstools/highthroughput/data/ht_template.yaml
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amstools/highthroughput/webinterface/resources/templates/pipeline.html
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amstools/pipeline/generalstructure.py
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amstools/properties/defectformation.py
amstools/properties/elasticmatrix.py
amstools/properties/gammasurface.py
amstools/properties/generalcalculator.py
amstools/properties/interstitial.py
amstools/properties/murnaghan.py
amstools/properties/nnexpansion.py
amstools/properties/phonons.py
amstools/properties/randomdeform.py
amstools/properties/relaxation.py
amstools/properties/stackingfault.py
amstools/properties/static.py
amstools/properties/surface.py
amstools/properties/tqha.py
amstools/properties/transformationpath.py
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amstools/sources/__init__.py
amstools/sources/materials_project.py
amstools/validation/__init__.py
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amstools/validation/periodic_table.py
amstools/validation/validate.py
test/test_analyze.py
test/test_defectFormationCalculator.py
test/test_elasticMatrixCalculator.py
test/test_gammasurface.py
test/test_interstitialFormationCalculator.py
test/test_lammps.py
test/test_murnaghanCalculator.py
test/test_nnexpcalculator.py
test/test_phonopyCalculator.py
test/test_pipeline.py
test/test_pipeline_indexing.py
test/test_pipeline_naming.py
test/test_qatoms.py
test/test_randomdeform.py
test/test_relaxation.py
test/test_resources.py
test/test_sources.py
test/test_stackingFaultCalculator.py
test/test_structures.py
test/test_surfaceEnergyCalculator.py
test/test_thermodynamicQHACalculator.py
test/test_thermodynamics.py
test/test_transformationPathCalculator.py
test/test_utils.py