Public development project of the LAMMPS MD software package
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Back-end Developer Contributions:6 reviews, 30 commits, 9 PRs in 3 months
Contributions summary:Germain's primary contribution appears to be the initial implementation and modification of a compute module, "compute_born", which is involved in calculating elastic constant computations in the LAMMPS molecular dynamics software package. The user added a new class, "ComputeBorn", and implemented functionality to calculate and store the Born tensor contribution from pair interactions. Further development involved adding bond, angle, and dihedral contributions, along with refactoring and correcting indexing issues.
lammpsmolecular-dynamicssimulationkokkos
Contributions:18 pushes, 1 branch in 3 years 11 months