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quippy

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libAtoms/QUIP molecular dynamics framework

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::quippy

Usage Tracking

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Downloads (Last 6 months): 0

Description

The QUIP package is a collection of software tools to carry out molecular dynamics simulations. It implements a variety of interatomic potentials and tight binding quantum mechanics, and is also able to call external packages, and serve as plugins to other software such as LAMMPS, CP2K and also the python framework ASE. Various hybrid combinations are also supported in the style of QM/MM, with a particular focus on materials systems such as metals and semiconductors.

About

Summary

libAtoms/QUIP molecular dynamics framework

Last Updated

Jan 23, 2024 at 19:12

License

GPL-2.0-or-later

Total Downloads

251.1K

Supported Platforms

linux-64