analyze-gibbs-convergence SKILL.md skillA
analyze-gibbs-convergence from equinor/neqsim is an agent skill: a SKILL.md folder an AI agent loads when a task calls for it.
mdr add equinor/neqsim/analyze-gibbs-convergence@git:20260919.77c34a0Pins git:20260919.77c34a0 in mdr.lock. Pin the fingerprint instead.
- Audit grade
- A, 17 of 17 checks passed
- Kind
- SKILL.md skill
- Repository
- equinor/neqsim
- Path
.github/skills/analyze-gibbs-convergence/SKILL.md- Versions recorded
- 1
- Latest version
- git:20260919.77c34a0, committed Sep 19, 2026
- Size
- 10,246 bytes
- Repository stars
- 167
- License
- Apache-2.0
Interpret Gibbs energy minimization convergence metrics, analyze Jacobian.
Collected from public GitHub. Every version is saved exactly as it was and never changes. Install it at an exact version with the mdr tool, and every file is checked before it reaches your agent. The main file is checked against the SHA-256 fingerprint recorded here, and the others against the fingerprints GitHub keeps for its source commit. The automatic checks below grade the latest version, and the same checks always give the same file the same grade.
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."""
…Read the whole file at its exact version.
How to install
mdr add equinor/neqsim/analyze-gibbs-convergence@sha256:25cf9e24d21c1756The line at the top of this page pins the label git:20260919.77c34a0, which is what most people want. This one pins the sha256 fingerprint of the contents instead, so it survives a label being moved. Either way the exact version is written to mdr.lock, and mdr install downloads and checks those contents again, so it installs them exactly or stops with an error.
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Versions
The registry has recorded 1 version of this file, committed on Sep 19, 2026.
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Source
equinor/neqsim · 167 stars · license Apache-2.0 · pushed 2026-11-08 · branch master
API
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