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Merge pull request #8 from fedebenelli/dev
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fedebenelli authored Nov 15, 2023
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19 changes: 13 additions & 6 deletions README.md
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# fenvelopes
Fortran program to calculate phase envelopes.
# fenvelopes: Phase diagrams with Equations of State.

This is an ongoing project that intends te be a fully fledged generator of phase
equilibria diagrams using Equations of State.
![Phase diagram PTA](figs/pta.png)

This is an ongoing project that intends te be a fully fledged generator of
phase equilibria diagrams from multicomponent systems, using Equations of
State.

## Capabilities
Right now `fenvelopes` calculates three kinds of phase-envelopes.

- [x] Two-phase PT envelopes
- [o] Three-phase PT envelopes
- [ ] Three-phase PT envelopes
- [x] PT envelopes based on double saturation points.
- [ ] Isolated PT envelopes
- [ ] DSP lines:
- [x] DSP lines from a PT DSP
- [x] Two-phase Px envelopes
- [ ] Three-phase Px envelopes
- [x] Px envelopes based on double saturation points.
- [ ] Isolated Px envelopes.
- [ ] Isolated Px envelopes:
- [x] Isolated Px from PT
- [ ] Isolated Px from search
- [ ] Python wrappers to ease up scripting and plotting.

## Usage
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```bash
fpm run --profile release -- --infile <infile.nml PATH>
```

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