thermoatoms/calphy
v0.2.0MIT
Agent skills for installing, running, analysing, and troubleshooting calphy free-energy calculations with LAMMPS.
scripts
- calphy-install
- scripts/check_setup.sh
plugin.json
- name
- calphy
- version
- 0.2.0
- description
- Agent skills for installing, running, analysing, and troubleshooting calphy free-energy calculations with LAMMPS.
- author
- Sarath Menonsarath.menon@ruhr-uni-bochum.dehttps://github.com/thermoatoms
- license
- MIT
- homepage
- https://calphy.org
plugin.json
{
"$schema": "https://agent-plugins.org/schemas/1.0.0/plugin.schema.json",
"name": "calphy",
"version": "0.2.0",
"description": "Agent skills for installing, running, analysing, and troubleshooting calphy free-energy calculations with LAMMPS.",
"author": {
"name": "Sarath Menon",
"email": "sarath.menon@ruhr-uni-bochum.de",
"url": "https://github.com/thermoatoms"
},
"homepage": "https://calphy.org",
"repository": "https://github.com/thermoatoms/calphy-skills",
"license": "MIT",
"keywords": [
"calphy",
"free-energy",
"thermodynamic-integration",
"lammps",
"molecular-dynamics",
"melting-temperature",
"phase-diagram"
]
}
What else this package ships
These files come with the package and this site does not publish them. They are listed so you know what is there before you install it.
- check_setup.sh
- smoke_input.yaml
- LICENSE