Public development project of the LAMMPS MD software package
Role in this project:
Back-end Developer Contributions:1 review, 15 commits, 2 PRs in 10 months
Contributions summary:Emily primarily contributed to the LAMMPS MD software package by implementing and refactoring Kokkos-enabled routines, focusing on performance improvements for triclinic cell calculations and the SLLOD thermostat. They fixed bugs in existing Kokkos kernels and added new Kokkos implementations for compute temp/deform. Further contributions include the addition of hipFFT support and documentation updates.
lammpsmolecular-dynamicssimulationkokkos
Public development project of the LAMMPS MD software package
Contributions:38 pushes, 12 branches in 2 years 6 months
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