MACE_LR for both with and without pbc

Author: rfhari

mace/.gitattributes

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+# Auto detect text files and perform LF normalization
+* text=auto

mace/.gitignore

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+# Byte-compiled / optimized / DLL files
+__pycache__/
+*.py[cod]
+*$py.class
+
+# Distribution / packaging
+build/
+*.egg-info/
+
+# pytest
+.pytest_cache/
+
+# mypy
+.mypy_cache/
+
+# IDE
+.idea/
+.vscode/
+*.txt
+*.log

mace/.mypy.ini

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+[mypy]
+# Platform configuration
+python_version = 3.8
+
+# Untyped definitions and calls
+check_untyped_defs = True
+
+[mypy-mace.tools.torch_geometric.*]
+ignore_errors = True
+
+[mypy-mace.tools.scatter]
+ignore_errors = True
+
+[mypy-setuptools.*]
+ignore_missing_imports = True
+
+[mypy-e3nn.*]
+ignore_missing_imports = True
+
+[mypy-scipy.*]
+ignore_missing_imports = True
+
+[mypy-ase.*]
+ignore_missing_imports = True
+
+[mypy-prettytable.*]
+ignore_missing_imports = True
+
+[mypy-torch_ema.*]
+ignore_missing_imports = True
+
+[mypy-matplotlib.*]
+ignore_missing_imports = True
+
+[mypy-pandas.*]
+ignore_missing_imports = True
+
+[mypy-opt_einsum.*]
+ignore_missing_imports = True

mace/LICENSE.md

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+MIT License
+
+Copyright (c) 2022 ACEsuit/mace
+
+Permission is hereby granted, free of charge, to any person obtaining a copy
+of this software and associated documentation files (the "Software"), to deal
+in the Software without restriction, including without limitation the rights
+to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
+copies of the Software, and to permit persons to whom the Software is
+furnished to do so, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all
+copies or substantial portions of the Software.