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gaspype
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# Gaspype # Gaspype
The python package provides a performant library for thermodynamic calculations The Python package provides a performant library for thermodynamic calculations
like equilibrium reactions for several hundred gas species and their mixtures - like equilibrium reactions for several hundred gas species and their mixtures -
written in Python/Numpy. written in Python/NumPy.
Species are treated as ideal gases. Therefore the application is limited to moderate Species are treated as ideal gases. Therefore the application is limited to moderate
pressures or high temperature applications. pressures or high temperature applications.
It is designed with goal to be portable to Numpy-style GPU frameworks like JAX and PyTorch. It is designed with goal to be portable to NumPy-style GPU frameworks like JAX and PyTorch.
## Key Features ## Key Features
@ -53,7 +53,7 @@ mass = fl.get_mass()
gas_volume = fl.get_v(t=800+273.15, p=1e5) gas_volume = fl.get_v(t=800+273.15, p=1e5)
``` ```
The arguments can be provided as numpy-arrays: The arguments can be provided as NumPy-arrays:
``` python ``` python
import numpy as np import numpy as np
@ -64,7 +64,7 @@ fl.get_density(t=t_range, p=1e5)
array([0.10122906, 0.09574625, 0.09082685, 0.08638827, 0.08236328]) array([0.10122906, 0.09574625, 0.09082685, 0.08638827, 0.08236328])
``` ```
A ```fluid``` object can have multiple compositions. A multidimensional ```fluid``` object A ```fluid``` object can have multiple compositions. A multidimensional ```fluid``` object
can be created for example by multiplication with a numpy array: can be created for example by multiplication with a NumPy array:
``` python ``` python
fl2 = gp.fluid({'H2O': 1, 'N2': 2}) + \ fl2 = gp.fluid({'H2O': 1, 'N2': 2}) + \
@ -221,8 +221,8 @@ cd gaspype
It's recommended to setup an venv: It's recommended to setup an venv:
```bash ```bash
python -m venv venv python -m venv .venv
source venv/bin/activate # On Windows use `venv\Scripts\activate` source .venv/bin/activate # On Windows use `.venv\Scripts\activate`
``` ```
Install the package and dev-dependencies while keeping the package files Install the package and dev-dependencies while keeping the package files