brixta-cement-thermo
brixta-cement-thermo is the BRIXTA thermodynamic integration boundary.
It does not implement Gibbs-energy minimization, cement thermodynamics, activity models, or thermodynamic databases. Those belong to GEMS/xGEMS, GEMS3K, ThermoFun and cement thermodynamic datasets such as Cemdata.
0.1.0
The first release intentionally contains only the runtime boundary:
- discover an importable
xgemsPython module - verify that the modern
ChemicalEngineAPI is exposed - report Python / engine metadata
- optionally validate a configured GEMS standalone chemical-system path
brixta-thermo doctor
No equilibrium calculation is claimed in 0.1.0.
This mirrors the BRIXTA XRD strategy: validate the external scientific engine first, then add a narrow, reproducible orchestration layer once a real cement chemical system and dataset are available.
Environment
Optional:
export BRIXTA_GEMS_SYSTEM="/path/to/exported/gems/system"
The configured path may be a directory or a specific exported GEMS input file. BRIXTA does not invent or synthesize a GEMS chemical system.
Architecture
BRIXTA raw-mix chemistry / MaterialState
|
brixta-cement-thermo
|
xGEMS
|
GEMS3K
|
ThermoFun + Cemdata
The official GEMS workflow requires a defined chemical system/model/database exported for standalone use. BRIXTA therefore treats those scientific assets as external, versioned inputs rather than embedding guessed thermodynamic data.
1 maintainer
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The following attestation bundles were made for brixta_cement_thermo-0.1.0-py3-none-any.whl:
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public
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github-hosted -
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thermo-release.yml@9f63f948f874357e184c0c0ce21639bd00cb6696 -
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