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pyJac

Project Description
pyJac
===============

This utility creates source code to calculate the Jacobian matrix analytically for a chemical reaction mechanism.

Documentation
-------------

The full documentation for pyJac can be found at http://kyleniemeyer.github.io/pyJac/.

Installation
------------

Detailed installation instructions can be found in the [full documentation](http://kyleniemeyer.github.io/pyJac/). However, pyJac can be installed as a Python module:

python setup.py install

Usage
-----

pyJac can be run as a python module:

python -m pyjac [options]

The generated source code is placed within the `out` (by default) directory, which is created if it doesn't exist initially.


Options
-------

In the above, `[options]` indicates where command line options should be specified. The options available can be seen using `-h` or `--help`, or below:

-h, --help show this help message and exit
-l {c,cuda,fortran,matlab}, --lang {c,cuda,fortran,matlab}
Programming language for output source files.
-i INPUT, --input INPUT
Input mechanism filename (e.g., mech.dat).
-t THERMO, --thermo THERMO
Thermodynamic database filename (e.g., therm.dat), or
nothing if in mechanism.
-b, --build_path
The folder to generate the Jacobian and rate subroutines in
-ls SPECIES NAME, --last_species SPECIES NAME
The species to move to the end of the mechanism to force mass conservation.
Defaults to (in order) N2, Ar, He.
-ic STRING, --initial-conditions STRING
A comma separated list of initial conditions to set in the
set_same_initial_conditions method.
Expected Form: T,P,Species1=...,Species2=...,...
Temperature in K
Pressure in Atm
Species in moles
-nco, --no-cache-optimizer
Turn off the cache optimization functionality
-nosmem, --no-shared-memory
Turn off shared memory usage for CUDA
-pshare, --prefer-shared
Prefer a larger shared memory size (compared to L1 cache size) for CUDA.
(Not recommended)
-nb, --num_blocks
The target number of blocks per streaming multiprocessor for CUDA.
Default is 8
-nt, --num_threads
The number of threads per block for CUDA.
Default is 64
-mt, --multi-threaded
The number of threads to use during cache-optimization.
Default is the CPU count returned by multiprocessing
-fopt, --force-opt
Force re-running of cache optimizer.
By default cache optimizer will turn off if it detects a previous optimization
for the same mechanism
-ad, --auto-diff
Generate code for Adept autodifferentiation library (used for validation)
-sj, --skip_jac
Do not generate Jacobian subroutine

License
-------

`pyJac` is released under the MIT license; see the [`LICENSE`](https://github.com/kyleniemeyer/pyJac/blob/master/LICENSE) for details.

If you use this package as part of a scholarly publication, please see the `CITATION.md` for the appropriate citation(s).

Contributing
------------

We welcome contributions to pyJac! Please see the guide to making contributions in the [`CONTRIBUTING.md`](https://github.com/kyleniemeyer/pyJac/blob/master/CONTRIBUTING.md) file.


Authors
-------

Created by [Kyle Niemeyer](http://kyleniemeyer.com) ([kyle.niemeyer@gmail.com](mailto:kyle.niemeyer@gmail.com)) and Nicholas Curtis ([nicholas.curtis@uconn.edu](mailto:nicholas.curtis@uconn.edu))
Release History

Release History

This version
History Node

0.9.9

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