speth

Contributing to Cantera

• For significant changes, consider starting a discussion on the Cantera Users' Group to plan your modifications so that they can be implemented efficiently and in a way that doesn't conflict with any other planned future development
• Fork the Cantera/cantera repository on Github
• Clone your new repository or add it as a remote to an existing repository
• Check out the existing 'master' branch, then start a new feature branch for your work

speth

#include "ct.h"
#include "ctfunc.h"
#include "ctmultiphase.h"
#include "ctonedim.h"
#include "ctreactor.h"
#include "ctrpath.h"
#include "ctsurf.h"
#include "ctxml.h"

speth

/usr/local/Cellar/cantera/HEAD/AUTHORS
/usr/local/Cellar/cantera/HEAD/bin/ck2cti
/usr/local/Cellar/cantera/HEAD/bin/csvdiff
/usr/local/Cellar/cantera/HEAD/bin/ctml_writer
/usr/local/Cellar/cantera/HEAD/bin/mixmaster
/usr/local/Cellar/cantera/HEAD/bin/setup_cantera
/usr/local/Cellar/cantera/HEAD/include/cantera/base/Array.h
/usr/local/Cellar/cantera/HEAD/include/cantera/base/clockWC.h
/usr/local/Cellar/cantera/HEAD/include/cantera/base/config.h
/usr/local/Cellar/cantera/HEAD/include/cantera/base/config.h.in

speth

units(length = "cm", time = "s", quantity = "mol", act_energy = "cal/mol")


RedlichKwongMFTP(name = "carbondioxide",
      elements = " C O H ",
      species = """ CO2  H2O """,
      activity_coefficients = (pureFluidParameters(species="CO2", a_coeff = [7.54e12, -4.13e9], b_coeff = 27.80),
			    pureFluidParameters(species="H2O", a_coeff = [1.7458E13, -8.0E9], b_coeff = 18.18),
			    crossFluidParameters(species="CO2 H2O", a_coeff = [7.897e12, 0])     ),
      initial_state = state(temperature = 300.0,

speth

% FLAME1 - A burner-stabilized flat flame
%
%    This script simulates a burner-stablized lean hydrogen-oxygen flame
%    at low pressure. 

help flame1;
%disp('press any key to begin the simulation');
%pause;

t0 = cputime;  % record the starting time

speth

Issues with CTI Input Files

• Loss of opportunity for interoperability with other software that is easier with a standard format
• Run-time Python dependency is a source of never-ending difficulty for users
• Extra work required to implement new input file features, since they need to be implemented in both CTI and XML, which leads to incompleteness in the CTI interface and requries users to use the XML interface in certain cases.

Issues with XML input files

• The format itself is needlessly verbose. Consider the definition of a single 'falloff' reaction in XML:

speth

#define _USE_MATH_DEFINES
#include <cmath>

/*!
 * All physical constants are stored here.
 *
 * @defgroup physConstants Physical Constants
 * %Cantera uses the MKS system of units. The unit for moles
 * is defined to be the kmol. All values of physical constants
 * are consistent with the 2010 CODATA recommendations.

speth

// Example demonstrating how to restart a Reactor network using a new
// initial condition.

#include <cantera/zerodim.h>
#include <cantera/IdealGasMix.h>

#include <iostream>

using namespace Cantera;