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Author:
H. Ishkhanyan
License:
MIT License
Copyright (c) 2024 Hrachya Ishkhanyan
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and assoc...
Summary:
Python Utility for Characterizing Heterogeneous Interfaces and Kinetics creates a grid from an molecular dynamics structure file. The system in question can have an arbitrary structure. Volume and species densities can then calculated.
Latest version:
1.2.5
Required dependencies:
mdanalysis
|
pygel3d
|
python-dotenv
|
scipy
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