New liquid model#7
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…that were repeated (gas vars moved to gas area in last commit)
Co-authored-by: Copilot <copilot@github.com>
- add dataset-specific input/output column lists with validation - update gas/bicarb loaders to enforce column order and numeric cleanup - use dataset defaults in optimizer/run_experiment to avoid Voltage as input - make PhModel accept dynamic input size and Zero_eps_thickness index
…that were repeated (gas vars moved to gas area in last commit)
Co-authored-by: Copilot <copilot@github.com>
- add dataset-specific input/output column lists with validation - update gas/bicarb loaders to enforce column order and numeric cleanup - use dataset defaults in optimizer/run_experiment to avoid Voltage as input - make PhModel accept dynamic input size and Zero_eps_thickness index
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…catalysis into new_liquid_model
…sistant between the liq and gas model. Now file name is found in YAML
ftherrien
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May 11, 2026
| @@ -1,3 +1,4 @@ | |||
| data_file: Characterization_data.xlsx | |||
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Remove this, set it as None in config.py
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I would keep all parameters in the yaml and modify the yaml for each experiement. That way you no exactly what params were used for each run. You can keep argparse for the config path only
ftherrien
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May 11, 2026
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| # Determine input labels from non-constant columns | ||
| exclude_cols = {'triplet'} | set(output_labels) | ||
| input_labels = [col for col in df.columns |
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Keep this filtering of parameters that don't change so that is done automatically in the future
…ther criteria in run_experiment
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New option (new physics model) in gde_multi that uses a carbonate liquid setup rather than a gas setup.