Public development project of the LAMMPS MD software package
Role in this project:
Back-end Developer Contributions:1 review, 12 commits, 5 PRs in 15 days
Contributions summary:Tanmoy primarily contributed to a Python tool designed to reorder REMD trajectories within the LAMMPS molecular dynamics software package. Their work involved modifying existing scripts, including fixing import issues and adding features to calculate configurational weights. They also integrated the tool into an example workflow, linking it to other related scripts. The user demonstrated proficiency in manipulating LAMMPS trajectory data.
lammpsmolecular-dynamicssimulationkokkos
Contributions:76 pushes, 4 branches in 2 years 9 months