neqsim-thermodynamic-initialization

neqsim-thermodynamic-initialization is a skill for Claude Code, Codex from equinor/neqsim. It costs 59 tokens per session (913 once invoked), scanned A, original, Apache-2.0.

A guide for choosing how much thermodynamic initialization a NeqSim calculation needs before reading properties or running phase calculations. It also explains when to initialize density, transport, and interfacial properties.

In plain words
What is it for?
Use it when implementing or reviewing flashes, phase-stability checks, equation-of-state results, process equipment, or property access in NeqSim.
Why use it?
It avoids unnecessary calculation work while reducing errors caused by using properties before the model has been initialized to the required level.

Skill for Claude CodeCodex

Written for no agent in particular: nothing here depends on one.

Good fit Use it when implementing or reviewing flashes, phase-stability checks, equation-of-state results, process equipment, or property access in NeqSim.

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Install with agentmods
npx agentmods add skills/equinor/neqsim/neqsim-thermodynamic-initialization
Install

Getting it into your agent

One page per mod, every tool's command on it. A separate URL per tool would split the same page into five that compete with each other.

Any agent
npx skills add equinor/neqsim --skill neqsim-thermodynamic-initialization
Clone the repo
git clone --depth 1 https://github.com/equinor/neqsim

Made for: Claude Code, Codex.

Wrote this? Show the measurements

A badge with what this costs and how it scanned, read live from this page, so it follows the numbers instead of freezing them. Markdown for a README, HTML for a documentation site or a project page.

agentmods badge for neqsim-thermodynamic-initialization

README.md
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Your own site
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Per session 59 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 913 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 0 findings. A grade says what 26 rules found in the file — not that it is safe. Third-party audits
  • NVIDIA SkillSpector pass 7 Sept 2026
How audits are shown
Origin original No closer match found in the catalogue.
Token cost

What it costs to keep this loaded

Counted locally with the o200k_base tokenizer, which is exact for GPT models; Claude uses its own tokenizer and its counts differ. Treat this as one consistent yardstick across the catalogue rather than a bill. Prices are per million input tokens.

ModelPer sessionOnce invoked
Fable 5.1 $0.00059 $0.00913
Opus 5.5 $0.00024 $0.00365
Sonnet 5.5 $0.00012 $0.00183
Haiku 4.5 $0.00006 $0.00091

Measured 11d ago against content hash 00f24dc1d5c1, method: parsed. Prices are Anthropic first-party input rates as of 2026-10-07, from the pricing page.

Security

Grade A, and why

neqsim-thermodynamic-initialization scanned grade A with 0 findings against 26 rules in 11 categories — prompt injection, anti-refusal, data exfiltration, privilege escalation, supply chain, agent snooping, system-prompt leakage, SSRF and excessive agency — measured 11d ago.

A static scan of the body, not an audit. Every finding is printed with the line that produced it so you can judge whether it matters here. A mod is markdown that instructs an agent; that is exactly why what it instructs is worth reading.

Nothing flagged

None of the 26 patterns this scan looks for appear in this file: no shell pipes, no recursive deletes, no credential paths, no hidden text, no instruction-override or anti-refusal phrasing, no agent-config snooping. That is not a guarantee, it is the absence of the things that are checkable.

.github/skills/neqsim-thermodynamic-initialization/SKILL.md · 55 lines

How it starts

The opening of the file, as written. The whole thing — 55 lines — stays where its author put it; the contents beside it link to each section on GitHub.

NeqSim thermodynamic initialization

Use this skill whenever implementing or reviewing flashes, phase stability, EOS root selection, process-equipment thermodynamics, property access, or performance changes involving init(...) or initProperties().

Core rule

Always use the lowest initialization level required by the quantities actually consumed:

Level Use for
init(0) Composition, phase amounts, and basic bookkeeping without EOS properties
init(1) Fixed-T/P EOS state, cubic roots, molar volume, Z, fugacity coefficients, chemical potentials, phase-equilibrium Gibbs comparisons, TPD/stability calculations, and TP-flash iterations
init(2) Caloric properties and first temperature derivatives: enthalpy, entropy, Cp/Cv, Joule-Thomson coefficient, and related temperature derivatives
init(3) Second composition derivatives, derivative matrices, and other explicitly verified level-3 quantities
initProperties() Density models and transport/interfacial properties when those properties are requested

Do not call init(2) or init(3) merely to be safe. Before increasing a level, trace the exact downstream getter and confirm its dependency in Phase, PhaseEos, the component implementation, or the relevant property model.

For fixed-T/P cubic-root selection and fugacity/Gibbs equilibrium checks, prefer init(1). Temperature derivative caches such as loc_AT and loc_ATT support caloric properties; they are not by themselves evidence that a fixed-T/P flash-Gibbs comparison requires init(2).

When a caller consumes temperature derivatives after TPflash, initialize them on the resulting phase state with init(2). Initializing before the flash is insufficient when it replaces phases; the legacy cricondenbar iteration is a regression example.

After phase removal, verify component inventory as well as normalized compositions: sum(beta[p] * x[p][i]) must reconstruct the feed. Do not repair a failed endpoint only by assigning x = z; that can conceal a genuine phase instability. Compare Gibbs energies at the same conserved feed and mole amount, recheck topology through stability analysis, and require fugacity equality for a recovered split. The dry SRK/PR condensate regression for issue #4202 is TPflashCondensateEndpointConservationTest.

Read the full file on GitHub · 55 lines

Changes

What this file has done since we first saw it

Hashed on every crawl. A supply-chain change to an agent config is a question of when, not whether, so the history is kept rather than the latest state alone.

  1. 11d ago Changed · +12 lines 00f24dc1d5c1
  2. 1mo ago Changed · +1 lines a2d1bdcf7b47
  3. 1mo ago First seen · 42 lines · 59 tokens per session scan A fca80f79d8fc

Subscribe to this mod's changes

neqsim-thermodynamic-initialization is a skill published in the GitHub repository equinor/neqsim (156 stars, last pushed today), licensed Apache-2.0. It adds 59 tokens to every session and 913 once invoked, about $0.0002 per session on Opus 5.5. A static security scan graded it A with 0 findings. No closer match exists in the catalogue, so it is treated as the original; first seen 2026-09-03.

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