get_molecule_definition
Retrieve the RASPA2 molecule definition (.def) file for a specified built-in molecule, such as CO2 or N2, to use in molecular simulations.
Instructions
Return the content of the RASPA2 molecule definition file (.def) for a built-in molecule.
The file must be placed at: /molecules/TraPPE/.def
Args: molecule_name: e.g. "CO2", "N2", "CH4", "H2O", "helium"
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| molecule_name | Yes |