Public development project of the LAMMPS MD software package
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Back-end Developer Contributions:11 reviews, 21 commits, 17 PRs in 2 years 1 month
Contributions summary:Shern contributed significantly to the `fix electrode/conp` functionality within the LAMMPS molecular dynamics package. Their work involved implementing the `compute_array` function and updating the associated documentation. Further modifications focused on improving matrix handling (elastance) and external field interactions, alongside bug fixes related to initialization and output formatting. These changes likely improved the simulation capabilities around electrochemistry and external field applications.
lammpsmolecular-dynamicssimulationkokkos
updated constant potential plugin for LAMMPS
Contributions:1 release, 1 review, 308 commits in 2 years 2 months
constantupdatedlammpsplugin