analyze-gibbs-convergence skillC
analyze-gibbs-convergence is agent-read markdown (skill) from equinor/neqsim.
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What the file says
# Skill: Analyze Gibbs Convergence
## Purpose
Interpret Gibbs energy minimization convergence metrics, analyze Jacobian
conditioning, verify element balance closure, and produce publication-quality
figures for chemical equilibrium papers.
## When to Use
- After running Gibbs reactor benchmark experiments
- When analyzing convergence of Newton-Raphson Gibbs minimization
- When comparing solver variants (baseline vs optimized)
- When investigating failure cases in chemical equilibrium
## Analysis Procedure
### Step 1: Load and Parse Results
```python
import json
import pandas as pd
import numpy as np
def load_reactor_results(results_dir, solver_name):
"""Load JSONL results into DataFrame."""
records = []
with open(f"{results_dir}/raw/{solver_name}_results.jsonl") as f:
for line in f:
records.append(json.loads(line))
return pd.DataFrame(records)
```
### Step 2: Equilibrium Composition vs Temperature
The most important figure for a chemical equilibrium paper:
```python
import matplotlib.pyplot as plt
def plot_equilibrium_composition(df, system_name, save_path):
"""Plot equilibrium mole fractions vs temperature for all species."""
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How to install
mdr add equinor/neqsim/analyze-gibbs-convergence@git:20260919.77c34a0mdr add equinor/neqsim/analyze-gibbs-convergence@sha256:d901133af0843efdPin to a label to follow the author's releases, or to a sha256 to freeze the exact bytes forever. Either way the resolved hash is written to mdr.lock, and mdr install reproduces it on any machine.
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Source
equinor/neqsim · 155 stars · license Apache-2.0 · pushed 2026-09-24 · branch master
API
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