This project aims at providing a user package for the molecular dynamics software LAMMPS, which allows the complete simulation to run on a GPU. Additional information and svn access to "bleeding etch" code can be found on the project website below.
Features
- infrastructure for complete gpu calculations integrated in lammps
- all calculation types (fixes, computes, forces) can be done on gpu
- (almost) fully backward compatible with original lammps classes
- mixed precision calculations
Categories
SimulationLicense
GNU General Public License version 2.0 (GPLv2)Follow LAMMPS_CUDA
nel_h2
Gen AI apps are built with MongoDB Atlas
MongoDB Atlas provides built-in vector search and a flexible document model so developers can build, scale, and run gen AI apps without stitching together multiple databases. From LLM integration to semantic search, Atlas simplifies your AI architecture—and it’s free to get started.
Rate This Project
Login To Rate This Project
User Reviews
Be the first to post a review of LAMMPS_CUDA!