Public development project of the LAMMPS MD software package
Role in this project:
Back-end Developer Contributions:4 reviews, 29 commits, 19 PRs in 2 years
Contributions summary:Charlie primarily contributed to the build system and documentation within the LAMMPS molecular dynamics software package. Their commits show modifications to build instructions (CMake and traditional make), including compiler settings and dependency information. The user also made changes to the code's documentation, demonstrating a focus on usability and clarity for users who build and use the software. The commits also include specific improvements to the dynamical matrix and third order tensor implementations within the USER-PHONON package.
lammpsmolecular-dynamicssimulationkokkos
Software for generating SNAP machine-learning interatomic potentials
Contributions:6 PRs, 212 pushes, 20 branches in 2 years 2 months
potentialsinteratomic-potentialsmachine-learningsnap