Catera with additional transport models
7523022d71
Replace data/inputs/diamond.cti with test_problems version that has more information. This results in a change in the default pressure and mole fractions of the gas phase, which in turn changes the result of one of the regression tests. This is fixed by setting the composition and pressure of the gas phase in the test to their original values. The default state from the CTI file matches from the paper. In addition, there was a difference in the reversibility of reaction u between the files. Since the thermo for C(d) specifies that the reaction is irreversible, this is the sense of the reaction that is chosen. Include plotting in the diamond_cvd.py and use open properly. |
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|---|---|---|
| data | ||
| doc | ||
| ext | ||
| include/cantera | ||
| interfaces | ||
| platform/posix | ||
| samples | ||
| site_scons | ||
| src | ||
| test | ||
| test_problems | ||
| .codecov.yml | ||
| .gitignore | ||
| .gitmodules | ||
| .travis.yml | ||
| appveyor.yml | ||
| AUTHORS | ||
| CODE_OF_CONDUCT.md | ||
| CONTRIBUTING.md | ||
| INSTALL | ||
| ISSUE_TEMPLATE.md | ||
| License.txt | ||
| PULL_REQUEST_TEMPLATE.md | ||
| README.rst | ||
| SConstruct | ||
.. Cantera
|cantera|
|doi| |codecov| |travisci| |appveyor| |release|
What is Cantera?
================
Cantera is an open-source collection of object-oriented software tools for
problems involving chemical kinetics, thermodynamics, and transport processes.
Among other things, it can be used to:
* Evaluate thermodynamic and transport properties of mixtures
* Compute chemical equilibrium
* Evaluate species chemical production rates
* Conduct kinetics simulations with large reaction mechanisms
* Simulate one-dimensional flames
* Conduct reaction path analysis
* Create process simulations using networks of stirred reactors
* Model non-ideal fluids
Cantera can be used from Python and Matlab, or in applications written in C++
and Fortran 90. A number of `examples of Cantera's capabilities
<https://github.com/Cantera/cantera-jupyter>`_ are available in the form of
Jupyter notebooks. These examples can be tried interactively, in the cloud by
using the following MyBinder link:
.. image:: https://mybinder.org/badge.svg
:target: https://mybinder.org/repo/cantera/cantera-jupyter
Installation
============
`Installation instructions for the current release of Cantera
<https://cantera.org/install/index.html>`_ are available from the main `Cantera
documentation site <https://cantera.org>`_. Installers are provided for Windows
(MSI packages), macOS (through Homebrew), and Ubuntu. Anaconda packages
containing the Cantera Python module are also available for Windows, macOS, and
Linux.
.. image:: https://anaconda.org/cantera/cantera/badges/installer/conda.svg
:target: https://anaconda.org/Cantera/cantera
For other platforms, or for users wishing to install a development version of
Cantera, `compilation instructions <https://cantera.org/install/index.html>`_
are also available.
Documentation
=============
The `documentation <https://cantera.org/documentation>`_
offers a number of starting points:
- `Python tutorial
<https://cantera.org/tutorials/python-tutorial.html>`_
- `Application Examples in Python
<https://github.com/Cantera/cantera-jupyter#cantera-jupyter>`_
- `A guide to Cantera's input file format
<https://cantera.org/tutorials/input-files.html>`_
- `Information about the Cantera community
<https://cantera.org/community.html>`_
`Documentation for the development version of Cantera
<https://cantera.org/documentation/dev-docs.html>`_ is also available.
Code of Conduct
===============
.. image:: https://img.shields.io/badge/code%20of%20conduct-contributor%20covenant-green.svg?style=flat-square
:alt: conduct
:target: https://www.contributor-covenant.org/version/1/4/code-of-conduct.html
In order to have a more open and welcoming community, Cantera adheres to a
`code of conduct <CODE_OF_CONDUCT.md>`_ adapted from the `Contributor Covenent
code of conduct <https://contributor-covenant.org/>`_.
Please adhere to this code of conduct in any interactions you have in the
Cantera community. It is strictly enforced on all official Cantera
repositories, websites, users' group, and other resources. If you encounter
someone violating these terms, please `contact the code of conduct team
<mailto:conduct@cantera.org>`_ (`@speth <https://github.com/speth>`_,
`@bryanwweber <https://github.com/bryanwweber>`_, and `@kyleniemeyer
<https://github.com/kyleniemeyer>`_) and we will address it as soon as
possible.
Development Site
================
The current development version is 2.5.0a3. The current stable version is
2.4.0. The `latest Cantera source code <https://github.com/Cantera/cantera>`_,
the `issue tracker <https://github.com/Cantera/cantera/issues>`_ for bugs and
enhancement requests, `downloads of Cantera releases and binary installers
<https://github.com/Cantera/cantera/releases>`_ , and the `Cantera wiki
<https://github.com/Cantera/cantera/wiki>`_ can all be found on Github.
Users' Group
============
The `Cantera Users' Group <https://groups.google.com/group/cantera-users>`_ is a
message board / mailing list for discussions amongst Cantera users.
Cantera Gitter Chat
===================
.. image:: https://badges.gitter.im/org.png
:target: https://gitter.im/Cantera/Lobby
The `Cantera Gitter Chat <https://gitter.im/Cantera/Lobby>`_ is a public chat
client that is linked to users' Github account. The developers do not closely
monitor the discussion, so *any* discussion at all of Cantera functionality
such as how to use certain function calls, syntax problems, input files, etc.
should be directed the User's Group. All conversations in the Gitter room will
be covered under the Cantera Code of Conduct, so please be nice.
The chat room is a place to strengthen and develop the Cantera community,
discuss tangentially-related topics such as how to model the underlying physics
of a problem , share cool applications you’ve developed, etc.
Summary:
“How do I perform this Cantera function call?” --> User's Group
"What do I do with the variables that a Cantera function call returns?” -->
Chat
Continuous Integration Status
=============================
============== ============ ===================
Platform Site Status
============== ============ ===================
Linux & OS X Travis CI |travisci|
Windows x64 Appveyor |appveyor|
============== ============ ===================
NumFOCUS
========
Cantera is a fiscally-sponsored project of `NumFOCUS <https://numfocus.org>`__,
a non-profit dedicated to supporting the open source scientific computing
community. Please consider `making a donation
<https://numfocus.salsalabs.org/donate-to-cantera/index.html>`__ to support the
development of Cantera through NumFOCUS.
.. image:: https://img.shields.io/badge/powered%20by-NumFOCUS-orange.svg?style=flat&colorA=E1523D&colorB=007D8A
:target: https://numfocus.salsalabs.org/donate-to-cantera/index.html
:alt: Powered by NumFOCUS
.. |cantera| image:: https://cantera.org/assets/img/cantera-logo.png
:target: https://cantera.org
:alt: cantera logo
:width: 675px
:align: middle
.. |travisci| image:: https://travis-ci.org/Cantera/cantera.svg?branch=master
:target: https://travis-ci.org/Cantera/cantera
.. |appveyor| image:: https://ci.appveyor.com/api/projects/status/auhd35qn9cdmkpoj?svg=true
:target: https://ci.appveyor.com/project/Cantera/cantera
.. |doi| image:: https://zenodo.org/badge/DOI/10.5281/zenodo.170284.svg
:target: https://doi.org/10.5281/zenodo.1174508
.. |codecov| image:: https://img.shields.io/codecov/c/github/Cantera/cantera/master.svg
:target: https://codecov.io/gh/Cantera/cantera?branch=master
.. |release| image:: https://img.shields.io/github/release/cantera/cantera.svg
:target: https://github.com/Cantera/cantera/releases
:alt: GitHub release