Pinned Repositories
Atoms.jl
Julia codes for molecular simulations
extxyz
Extended XYZ specification and parsers
ExtXYZ.jl
Extended XYZ read/write support for Julia
GAP
matscipy
Materials science with Python at the atomic-scale
pymatnest
Nested Sampling code
QUIP
libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
silicon-testing-framework
Testing framework for silicon interatomic potentials
testing-framework
workflow
python workflow toolkit
libAtoms's Repositories
libAtoms/QUIP
libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
libAtoms/matscipy
Materials science with Python at the atomic-scale
libAtoms/GAP
libAtoms/workflow
python workflow toolkit
libAtoms/pymatnest
Nested Sampling code
libAtoms/extxyz
Extended XYZ specification and parsers
libAtoms/ExtXYZ.jl
Extended XYZ read/write support for Julia
libAtoms/testing-framework
libAtoms/silicon-testing-framework
Testing framework for silicon interatomic potentials
libAtoms/Atoms.jl
Julia codes for molecular simulations
libAtoms/ExPyRe
Execute Python Remotely
libAtoms/pymatnext
Python Nested Sampling for Materials, the Next Generation
libAtoms/soap_turbo
libAtoms/QUIPforLAMMPS
Interface between QUIP (http://www.libatoms.org) and LAMMPS (http://lammps.sandia.gov/) MD codes
libAtoms/abcd-2016
Atom-Based Configuration Database
libAtoms/dap
Display Atoms with Python
libAtoms/fox
A Fortran XML library
libAtoms/quip-docker
libAtoms/abcd
libAtoms/docker-quip-base
Deprecated repo. If you think you anything need from this, look at quip-docker and scream if it's not there
libAtoms/GAP-doc
Obsoleted! Documentation pages for GAP
libAtoms/JuLibAtoms
Various Julia Packages to interact with ASE and Libatoms
libAtoms/phonofit
python wrapper around phonopy and phono3py, includes scripts to fit potentials to phonon displacement data
libAtoms/quippy-wheels
Build PyPI wheels for quippy
libAtoms/universalSOAP
heuristics to define SOAP parameters for the all chemical elements
libAtoms/wiki
Public wiki for libAtoms-related pages
libAtoms/extxyz-ase
Extendex XYZ I/O Plugin for the Atomic Simulation Environment (ASE)
libAtoms/lammps
Public development project of the LAMMPS MD software package
libAtoms/libatoms.github.io
Public web site for QUIP and friends
libAtoms/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.