libatoms Goto Github PK

abcd

abcd-2016

Atom-Based Configuration Database

atoms.jl

Julia codes for molecular simulations

dap

Display Atoms with Python

docker-quip-base

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

expyre

Execute Python Remotely

extxyz

Extended XYZ specification and parsers

extxyz-ase

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

extxyz.jl

Extended XYZ read/write support for Julia

fox

A Fortran XML library

gap

gap-doc

Obsoleted! Documentation pages for GAP

julibatoms

Various Julia Packages to interact with ASE and Libatoms

lammps

Public development project of the LAMMPS MD software package

libatoms.github.io

Public web site for QUIP and friends

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.

matscipy

Materials science with Python at the atomic-scale

phonofit

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

pymatnest

Nested Sampling code

pymatnext

Python Nested Sampling for Materials, the Next Generation

quip

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

quip-docker

quipforlammps

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

quippy-wheels

Build PyPI wheels for quippy

silicon-testing-framework

Testing framework for silicon interatomic potentials

soap_turbo

testing-framework

universalsoap

heuristics to define SOAP parameters for the all chemical elements

wiki

Public wiki for libAtoms-related pages

workflow

python workflow toolkit