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614 commits

Author SHA1 Message Date
Bryan W. Weber
120c6e742c [Matlab] Add fwdRateConstants and revRateConstants functions 
Resolves Issue 125.
 2014-01-06 18:46:36 +00:00
Ray Speth
1b20128ad5 [1D] Miscellanous cleanup of class OneDim 2014-01-06 18:46:14 +00:00
Ray Speth
dede8dcd42 [1D] Remove redundant Domain1D::setGrid function 
This is a duplicate of Domain1D::setupGrid.
 2014-01-06 18:46:09 +00:00
Ray Speth
2653c0a16b [1D] Move OneDim::needJacUpdate to the correct source file 2014-01-06 18:46:03 +00:00
Ray Speth
fc008d067d [Transport] Move implementation of MultiTransport into a single file 2014-01-06 18:45:57 +00:00
Ray Speth
907bfa0a10 Eliminated possibility of throwing from XML_Node destructor 2014-01-06 18:45:52 +00:00
Ray Speth
07cf85b851 [Thermo] Made constants used in WaterProps 'static const' 2014-01-06 18:45:47 +00:00
Ray Speth
ff75f77add Remove unnecessary m_nchildren variable from XML_Node 2014-01-06 18:45:41 +00:00
Ray Speth
b7885ea84a Simplify XML_Node::addChild implementations 2014-01-06 18:45:36 +00:00
Ray Speth
76a9c5e79c Remove unnecessary overload of XML_Node::addChild 2014-01-06 18:45:31 +00:00
Ray Speth
607955b9f2 Remove unnecessary conditional surrounding 'delete' statements 2014-01-06 18:45:19 +00:00
Harry Moffat
7e88d49734 Took out change of user NASA polynomials. 
This violates basic paradigm of what the user inputs the user gets.
If this is necessary, this needs to be a cpp utility program that is run before the main simulation.
 2014-01-03 20:57:40 +00:00
Ray Speth
201043e98c [Kinetics] Fix reaction path output when arrow_width > 0 
Fixes Issue 197.
 2013-12-20 19:21:45 +00:00
Ray Speth
38532f800f Fix linker error in IDA_Solver 2013-12-20 19:21:36 +00:00
Ray Speth
28dbcf072e [Kinetics] Remove the deprecated 'WF93' Falloff function 2013-12-16 23:22:09 +00:00
Bryan W. Weber
fc2d7e4ce0 [Reactor] Change 'species' to 'component' in context of sensitivities 
Change the variable named *species* to be named *component*. This
better matches the utility of this variable, since it can be used to
retrieve any of the state variables. Also, update the corresponding
documentation.
 2013-12-16 23:22:04 +00:00
Bryan W. Weber
1a2404aea5 [Reactor] Make default wall area 1.0 m^2 
This makes the default consistent with the documentation in the Python
module.

Fixes Issue 194.
 2013-12-16 23:21:58 +00:00
Ray Speth
e1a49487b7 [Kinetics] Remove deprecated getActivationEnergies function 
Resolves Issue 147.
 2013-12-16 23:21:52 +00:00
Ray Speth
54d11a016a Remove support for old Sundials versions 
Supported Sundials versions are 2.4 and 2.5.
 2013-12-14 00:18:17 +00:00
Ray Speth
f1b28158bf [Reactor] Fix behavior of componentIndex with ambigous names 
The name 'H' can mean either the species by that name or the entahlpy
of the reactor, in the case of ConstPressureReactor, and the previous
behavior always returned the index of the enthalpy.

This changes the behavior to preferentially return the species, and
adds alternative names for reactor state variables that are less
likely to generate namespace collisions: 'mass', 'volume',
'int_energy', 'enthalpy', 'temperature', 'distance', 'velocity'. The
single character names are still supported.

Resolves Issue 193.
 2013-12-14 00:18:12 +00:00
Ray Speth
1215f05da7 [Kinetics] Remove deprecated GRI30 class 
Resolves Issue 134.
 2013-12-14 00:17:54 +00:00
Ray Speth
f63f8ae57e Remove deprecated HTML logging functionality 2013-12-09 01:36:11 +00:00
Ray Speth
b5e540c903 [Python] Remove the legacy Python module 2013-12-09 01:35:08 +00:00
Ray Speth
3e4ccd4027 [Thermo] Make modification of discontinuous NASA polynomials optional 
Adding the attribute allow_discontinuities="true" to a phase's
'thermo' node (CTML) or adding 'allow_discontinuous_thermo' to a
phase's 'options' argument (CTI) will disable the automatic adjustment
of the provided polynomials so that enthalpy and entropy are
continuous at the midpoint temperature.
 2013-12-09 01:34:06 +00:00
Ray Speth
5dd2f3164a [Thermo] Fix printed labels in phase report when show_thermo=False 2013-12-06 23:15:11 +00:00
Ray Speth
681a08fc8d Fix issues with pure fluids near temperature limits 
Fixes Issue 186.
 2013-11-12 23:44:51 +00:00
Ray Speth
6d7ec8df43 [Matlab] Fix 'thermalConductivity' method 2013-11-03 20:46:38 +00:00
Ray Speth
5fff5ce99f [Thermo] Slightly simplify adding species 
Eliminate the freezeSpecies and init methods of class Phase, instead adjusting
array sizes as new species are added.
 2013-10-04 16:22:35 +00:00
Harry Moffat
5720d7cf90 Fixed an error where the users data was changed before it was used. 
Eliminated some deprecations which were not sanctioned.

Worked on Cantera.mak. There is a problem with scons eliminating $ from strings.
 2013-09-06 22:52:59 +00:00
Harry Moffat
cfa4493b51 Worked on fixing errors in the code that caused problems with downstream code. 
Took out single_species compilation option

took out some deprecated warnings

Fixed an error in copy constructors for thermo.

Still an error with PYTHONPATH and the test suite

 -- more to come.
 2013-09-02 00:58:28 +00:00
Ray Speth
0295f975e0 [Reactor] Refactor handling of sensitivity parameters in evalEqs 2013-07-30 15:57:48 +00:00
Ray Speth
c885a88817 Use fully qualified names for isnan, isinf, and finite 
Specify the versions in the global namespace, to avoid ambiguity
between these and the versions in namespace std that are available in
C++11.
 2013-10-21 22:12:57 +00:00
Ray Speth
584392d856 [SCons] Fix linking boost_thread in more places 2013-09-30 16:02:39 +00:00
Ray Speth
c028f4cc5c [SCons] Link boost_thread when building cti2ctml 
Fixes compilation errors with some versions of Boost.
 2013-09-30 01:54:18 +00:00
Ray Speth
f95bc8fb43 [Equil] Avoid floating point overflow from pressure term 
Since computing the residual norm effectively requires p**2, the
correct limit to avoid an overflow is sqrt(DBL_MAX), or roughly
exp(300).

This change fixes crashes due to SIGFPE in cases where floating point
exceptions have been enabled, and also fixes a few cases where the
solver did not previously converge.
 2013-09-30 01:53:54 +00:00
Ray Speth
2ac98393bd [Equil] Remove a calculation with an unused result 2013-09-30 01:53:48 +00:00
Ray Speth
55ece82319 [clib] Fix bounds check on getMolecularWeights 
The incorrect bounds check here caused problems with phases where
there were more elements than species.

Fixes Issue 173.
 2013-09-19 14:49:09 +00:00
Ray Speth
dab827d763 [ck2cti] Make permissive mode default when run from Matlab or C++ 2013-09-12 16:04:13 +00:00
Ray Speth
8a58b12698 [ck2cti] Fix to work with Cython module when called from Matlab or C++ 2013-09-12 16:04:04 +00:00
Ray Speth
721f0266be [SCons] Fix some dependency issues for building "ctpath.m" 2013-09-06 20:34:18 +00:00
Ray Speth
cf0a418027 [Reactor] Fix segfault when requesting sensitivities at t = 0 2013-09-01 00:33:19 +00:00
Ray Speth
7447c5957d [Thermo] Fix deleting objects that have manually-added species 2013-09-01 00:33:06 +00:00
Ray Speth
717a2367b1 [Transport] Add electricalConductivity method to all language interfaces 
Thanks to user 'hencken' for the patch.

Resolves Issue 171.
 2013-08-23 17:43:55 +00:00
Ray Speth
f61cbeafcb [Equil] Fix infinite loop in VCS equilibrium solver 
The threshold being removed here was introduced in r714, which was merged into
trunk in r1115.

Fixes Issue 113.
 2013-08-23 17:43:44 +00:00
Ray Speth
a22ceda566 [Scons] Fix build order dependencies for python modules 2013-08-14 17:55:51 +00:00
Ray Speth
dfe5945cd6 [Matlab] Add access to class FlowReactor 2013-08-02 23:17:54 +00:00
Ray Speth
957ddc97ae Fix calls to ck2cti that pass through the C++ interface 2013-08-02 23:17:40 +00:00
Ray Speth
10aa8ba060 [Kinetics] Allow negative Troe parameters 2013-08-01 18:57:33 +00:00
Ray Speth
03786fd07b [Python] Add support for IdealGasReactor and IdealGasConstPressureReactor 2013-07-31 18:14:45 +00:00
Ray Speth
9b6354b0c0 [SCons] Fix generation of ctpath.m 
Was failing because of dependency on dynamically-generated 'python_module_loc'
variable.
 2013-07-31 18:14:42 +00:00