lammps-md-executor
LAMMPS molecular dynamics skill for nanoscale system simulation with force field management
Profile →npx skills add a5c-ai/babysitter --skill lammps-md-executor --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 Executor ## Purpose The LAMMPS MD Executor skill provides molecular dynamics simulation capabilities for nanoscale systems, enabling investigation of structural, mechanical, and thermal properties through classical simulations. ## Capabilities - Force field selection and parameterization - System equilibration protocols - NVT/NPT ensemble simulations - Trajectory analysis - Thermal conductivity calculation - Mechanical property simulation ## Usage Guidelines ### MD Simulation Workflow 1. **System Setup** - Build initial configuration - Assign force field - Minimize energy 2. **Equilibration** - NVT temperature equilibration - NPT for density - Monitor equilibration metrics 3. **Production** - Run appropriate ensemble - Calculate properties on-the-fly - Save trajectories ## Process Integration - Molecular Dynamics Simulation Workflow - Multiscale Modeling Integration ## Input Schema ```json { "structure_file": "string", "force_field": "string (ReaxFF|MEAM|Tersoff|LJ)", "ensemble": "nvt|npt|nve", "temperature": "number (K)", "pressure": "number (atm, for npt)", "timestep": "number (fs)", "total_time": "number (ns)" } ``` ## Output Schema ```json { "thermodynamic_propertie
- Purpose
- Capabilities
- Usage Guidelines
- MD Simulation Workflow
- Process Integration
- Input Schema
- Output Schema
What does the lammps-md-executor skill do?
LAMMPS molecular dynamics skill for nanoscale system simulation with force field management
How do I install it?
Run `npx skills add a5c-ai/babysitter --skill lammps-md-executor --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.