Public development project of the LAMMPS MD software package
Role in this project:
Back-end Developer Contributions:37 commits, 3 PRs, 14 comments in 1 year 11 months
Contributions summary:Julien primarily contributed to the `min_adaptglok.cpp` file, implementing and refactoring methods related to box relaxation within the LAMMPS molecular dynamics software. These changes included initializing and setting up the relaxation parameters, adding checks for neighbor builds, and zeroing velocities during the box relaxation process. Furthermore, the user corrected default values and fixed integration schemes for the fire2 style in `src/min_fire.cpp`. The commits reflect efforts to improve the minimization capabilities of the LAMMPS package.
lammpsmolecular-dynamicssimulationkokkos
Some modifications of LAMMPS MD software package
Contributions:4 PRs, 64 pushes, 13 branches in 3 years 3 months
modificationslammps