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libAtoms

libAtoms

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libAtoms's repositories

QUIP

libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io

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matscipy

Materials science with Python at the atomic-scale

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GAP

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pymatnest

Nested Sampling code

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workflow

python workflow toolkit

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extxyz

Extended XYZ specification and parsers

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ExtXYZ.jl

Extended XYZ read/write support for Julia

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testing-framework

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silicon-testing-framework

Testing framework for silicon interatomic potentials

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Atoms.jl

Julia codes for molecular simulations

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pymatnext

Python Nested Sampling for Materials, the Next Generation

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soap_turbo

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ExPyRe

Execute Python Remotely

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QUIPforLAMMPS

Interface between QUIP (http://www.libatoms.org) and LAMMPS (http://lammps.sandia.gov/) MD codes

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abcd-2016

Atom-Based Configuration Database

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dap

Display Atoms with Python

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fox

A Fortran XML library

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quip-docker

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abcd

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docker-quip-base

Deprecated repo. If you think you anything need from this, look at quip-docker and scream if it's not there

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GAP-doc

Obsoleted! Documentation pages for GAP

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JuLibAtoms

Various Julia Packages to interact with ASE and Libatoms

License:MITStargazers:1Issues:6Issues:1

phonofit

python wrapper around phonopy and phono3py, includes scripts to fit potentials to phonon displacement data

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quippy-wheels

Build PyPI wheels for quippy

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universalSOAP

heuristics to define SOAP parameters for the all chemical elements

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wiki

Public wiki for libAtoms-related pages

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extxyz-ase

Extendex XYZ I/O Plugin for the Atomic Simulation Environment (ASE)

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lammps

Public development project of the LAMMPS MD software package

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libatoms.github.io

Public web site for QUIP and friends

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libcleri

Libcleri is a powerful tool to build languages. From a built language, libcleri can automatically create parse trees, which are data structures representing how a grammar matches input. It also provides feedback in case the input does not match the language. This can be useful for auto-completion, suggestions or error handling.

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