Public development project of the LAMMPS MD software package
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Updated
May 22, 2024 - C++
Public development project of the LAMMPS MD software package
A deep learning package for many-body potential energy representation and molecular dynamics
JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/citations?user=3w6ej94AAAAJ
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
LAMMPS inputs and data files
Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
Tool to build force field input files for molecular simulation
Collective variables library for molecular simulation and analysis programs
Phonon anharmonicity analysis from molecular dynamics
pyiron - an integrated development environment (IDE) for computational materials science.
a python package for the interfacial analysis of molecular simulations
Software Suite for Advanced General Ensemble Simulations
LAMMPS interface for phonon calculations using phonopy
A project (and object) for storing, manipulating, and converting molecular mechanics data.
Required LAMMPS and MATLAB files for several molecular dynamics simulations.
A Python library and command line interface for automated free energy calculations
Molecular dynamics proxy application based on Kokkos
LAMMPS tutorials for both beginners and advanced users
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