libAtoms

Pinned Repositories

Atoms.jl
Julia codes for molecular simulations
Language:Jupyter Notebook7 6 21
extxyz
Extended XYZ specification and parsers
Language:Python14 13 144
ExtXYZ.jl
Extended XYZ read/write support for Julia
Language:Julia12 5 225
GAP
Language:Fortran39 10 019
matscipy
Materials science with Python at the atomic-scale
Language:Python171 20 7455
pymatnest
Nested Sampling code
Language:Jupyter Notebook30 16 1218
QUIP
libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
Language:Fortran346 26 464122
silicon-testing-framework
Testing framework for silicon interatomic potentials
Language:Python9 18 27
testing-framework
Language:Jupyter Notebook11 16 86
workflow
python workflow toolkit
Language:Python31 9 15618

libAtoms's Repositories

libAtoms/QUIP
libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
Language:Fortran346 26 464122
libAtoms/matscipy
Materials science with Python at the atomic-scale
Language:Python171 20 7455
libAtoms/GAP
Language:Fortran39 10 019
libAtoms/workflow
python workflow toolkit
Language:Python31 9 15618
libAtoms/pymatnest
Nested Sampling code
Language:Jupyter Notebook30 16 1218
libAtoms/extxyz
Extended XYZ specification and parsers
Language:Python14 13 144
libAtoms/ExtXYZ.jl
Extended XYZ read/write support for Julia
Language:Julia12 5 225
libAtoms/testing-framework
Language:Jupyter Notebook11 16 86
libAtoms/silicon-testing-framework
Testing framework for silicon interatomic potentials
Language:Python9 18 27
libAtoms/Atoms.jl
Julia codes for molecular simulations
Language:Jupyter Notebook7 6 21
libAtoms/ExPyRe
Execute Python Remotely
Language:Python4 5 133
libAtoms/pymatnext
Python Nested Sampling for Materials, the Next Generation
Language:Python4 5 91
libAtoms/soap_turbo
Language:Fortran4 8 88
libAtoms/QUIPforLAMMPS
Interface between QUIP (http://www.libatoms.org) and LAMMPS (http://lammps.sandia.gov/) MD codes
Language:C++3 6 03
libAtoms/abcd-2016
Atom-Based Configuration Database
Language:Python2 8 6
libAtoms/dap
Display Atoms with Python
Language:Python2 7 11
libAtoms/fox
A Fortran XML library
Language:Fortran2 5 03
libAtoms/quip-docker
Language:Dockerfile2 3 1
libAtoms/abcd
Language:Python1 5 934
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
Language:Jupyter Notebook1 15 81
libAtoms/GAP-doc
Obsoleted! Documentation pages for GAP
Language:Python1 12 0
libAtoms/JuLibAtoms
Various Julia Packages to interact with ASE and Libatoms
1 6 1
libAtoms/phonofit
python wrapper around phonopy and phono3py, includes scripts to fit potentials to phonon displacement data
1 12 1
libAtoms/quippy-wheels
Build PyPI wheels for quippy
Language:Shell1 5 41
libAtoms/universalSOAP
heuristics to define SOAP parameters for the all chemical elements
Language:Python1 8 10
libAtoms/wiki
Public wiki for libAtoms-related pages
1 4 0
libAtoms/extxyz-ase
Extendex XYZ I/O Plugin for the Atomic Simulation Environment (ASE)
Language:Python4 0
libAtoms/lammps
Public development project of the LAMMPS MD software package
Language:C++5 0
libAtoms/libatoms.github.io
Public web site for QUIP and friends
Language:CSS4 11
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.
Language:C1 0