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Author:
Jonas Hänseroth
License:
MIT License (Non-Commercial Use Only)
Copyright (c) 2025 Jonas Hänseroth
Permission is hereby granted, free of charge, to any person obtaining a copy
of thi...
Summary:
A Python package for the creation of input files for CP2K, MACE-torch, MatterSim, SevenNet, ORB, and Grace as well as the post-processing and evaluation of these simulations.
Latest version:
0.8.0
Required dependencies:
ase
|
cycler
|
mace-torch
|
numpy
|
pybind11
|
scipy
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