parse_raspa_output
Parse RASPA2 output files to extract loading, Henry coefficients, void fraction, and energies as structured JSON, including isotherm tables.
Instructions
Parse RASPA2 output files and return structured results as JSON.
Extracts: loading (mol/kg, mg/g, cm³STP/g), Henry coefficients, void fraction, energies (including Qst and mu_ex), and builds an isotherm table if multiple pressure points are detected.
Args: output_dir: Path to the Output directory produced by RASPA2, typically '/Output/System_0/'.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| output_dir | Yes |