lammps-md-simulator
LAMMPS molecular dynamics simulation skill for atomistic simulations, force field setup, and large-scale parallel computations
Profile →npx skills add a5c-ai/babysitter --skill lammps-md-simulator --agent claude-code
Same command for any agent — swap --agent for codex, cursor, copilot.
Weekly change comes from our own snapshots, not the repository page — it measures attention, not adoption.
# LAMMPS MD Simulator ## Purpose Provides expert guidance on LAMMPS molecular dynamics simulations, including input script generation, force field selection, and parallel execution optimization. ## Capabilities - Input script generation and validation - Force field selection (EAM, Tersoff, ReaxFF) - Boundary condition and ensemble configuration - Thermodynamic property extraction - Trajectory file analysis - Parallel run optimization (MPI/GPU) ## Usage Guidelines 1. **Input Script Generation**: Create LAMMPS input files with proper syntax and structure 2. **Force Field Selection**: Choose appropriate interatomic potentials for the system 3. **Ensemble Configuration**: Set up NVT, NPT, or NVE ensembles correctly 4. **Output Analysis**: Process dump files and thermodynamic output 5. **Performance Optimization**: Configure parallel execution for HPC environments ## Tools/Libraries - LAMMPS - OVITO - MDAnalysis
- Purpose
- Capabilities
- Usage Guidelines
- Tools/Libraries
What does the lammps-md-simulator skill do?
LAMMPS molecular dynamics simulation skill for atomistic simulations, force field setup, and large-scale parallel computations
How do I install it?
Run `npx skills add a5c-ai/babysitter --skill lammps-md-simulator --agent claude-code` — it drops the skill into your project so the agent can pick it up. Swap the --agent value for codex, cursor or copilot if you use one of those.
Where does this skill come from?
From a5c-ai/babysitter, a repository with 1,642 stars. We read it straight from the repository tree rather than a submitted listing, so what you see here is what is actually published.
Is a popular skill a good skill?
Not necessarily. Stars measure attention, not adoption — a repository can trend for a week and be abandoned. That is why we show the weekly change from our own snapshots next to the total, instead of a single flattering number.