Route LAMMPS dynamics requests to DeePMD, ReaxFF, or general MD sub-skills.
npx skills add https://github.com/Hello-QM/catgo-LRG --skill lammps-router
Please help me install this Agent Skill. Skill: lammps-router Source: https://github.com/Hello-QM/catgo-LRG/tree/main/.claude/skills/lammps Command: npx skills add https://github.com/Hello-QM/catgo-LRG --skill lammps-router
Routes LAMMPS dynamics requests to the appropriate force-field sub-skills (DeePMD, ReaxFF, or general MD workflows), simplifying complex multi-potentials management.
deepmd/SKILL.md sub-skill with appropriate context.Route a LAMMPS MD request with the DeePMD potential to the deepmd sub-skill.
High-intent search queries and answers about installing and using this skill.
Routing LAMMPS MD requests involves dispatching tasks to appropriate sub-skills based on the requested potential, such as DeePMD or ReaxFF, while enforcing unit compatibility and forwarding routing decisions to specialized handlers.
LAMMPS enforces unit compatibility by requiring metal units for DeePMD and real units for ReaxFF, ensuring simulations run with the correct physical parameters and package prerequisites.
The router manages multi-potentials by automatically selecting the correct sub-skill for each requested force field, allowing DeePMD and ReaxFF to be used within the same LAMMPS workflow management system.
LAMMPS handles package availability by enforcing prerequisites for each sub-skill, ensuring required packages are available before forwarding routing decisions to specialized DeePMD or ReaxFF handlers.
ReaxFF simulations fail with metal units because the router enforces real units for ReaxFF tasks. Unit compatibility is checked before dispatching to ensure the correct physical environment for the requested potential.
chatmaterialsAutomate LAMMPS simulation workflows with input creation and log review.
tondevrelBuild, manipulate, and analyze atomic structures for atomistic simulations.
Hello-QMDevelop and execute LAMMPS reactive MD simulations with the ReaxFF force field.
Hello-QMRoute DeePMD-kit requests to training, inference, or MD sub-skills.