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Author:
Alexander Hauck
License:
MIT License Copyright (c) 2023 Alexander Hauck Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to d...
Summary:
Set of scripts to facilitate easy calculations of threshold displacement energies for materials in VASP/LAMMPS using ab initio/classical molecular dynamics.
Latest version:
1.6.0
Required dependencies:
ase
|
fortranformat
|
importlib-metadata
|
kaleido
|
matplotlib
|
nbformat
|
numpy
|
pandas
|
plotly
|
pymatgen
|
requests
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