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findTDE v1.3.1

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@hauck-as hauck-as released this 18 Nov 00:15
· 11 commits to main since this release
v1.3.1
96ab971

Changed method to create list of atom types for LAMMPS without duplicates while preserving order for atom types in data file, ensuring atomic masses correspond to proper atoms for velocity vector calculation. Reformatted find_multiple_tde function docstring in multi_tde.py. Improved docstrings with type-hints for plotting.py. Replaced hard-coded plot formatting with default arguments that can be changed by the user.

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