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Author SHA1 Message Date
Ray Speth
fa1d9e1ca9 [Cython] Use scipy when necessary to support older Python versions 
Fixes an incompatibility with Python 2.6 and 3.1. Scipy is not
required when using Python 2.7 or 3.2+.
 2013-07-23 15:30:51 +00:00
Ray Speth
346f9e196f [Cython] Use unittest2 when necessary to support Python 2.6 2013-07-23 15:30:47 +00:00
Ray Speth
ab7775e67e [Cython] Fix Python 2.6 compatibility issues with sys.version_info 
The "major" attribute is a new feature in Python 2.7.
 2013-07-18 22:39:26 +00:00
Ray Speth
c846d8237e [SCons] Check Cython version for Python 3.x 2013-07-18 22:39:23 +00:00
Ray Speth
c575bf6fb2 [SCons] Check Cython version for Python 2.x 2013-07-18 22:39:21 +00:00
Ray Speth
0fddd6a129 [Thermo] Fix errors in setState_SPorSV 
This corrects the behavior in cases where the correct temperature is below the
nominal minimum temperature for the phase.

Add test cases for this and analogous cases for the maximum temperature and
setState_HPorUV.

Fixes Issue 151.
 2013-07-18 19:07:14 +00:00
Ray Speth
000e374b6c [ctml_writer] Fix a Python 2.6 compatibility issue 
Python 2.6 needs some extra help when trying to execute code
containing Windows (CRLF) line endings.
 2013-07-18 19:07:10 +00:00
Ray Speth
a20fd58000 [1D] Fix save/restore when mechanism size differs 
The failures were caused when attempting to restore the tolerance vectors, which
have a value for each species. Since these tolerances are usually the same for
all species, the last value in the array can be used to extend the array to the
required length.

Also add some tests for this feature.
 2013-07-18 00:04:13 +00:00
Ray Speth
07ec92f712 [Doc] Start section for FAQs 2013-07-18 00:04:10 +00:00
Ray Speth
2fdd822369 [Doc] Put new Python module docs before legacy docs 2013-07-18 00:04:08 +00:00
Ray Speth
700ebd0abf [Matlab/Examples] Don't call non-existent methods 
The current simulation time is a property of the reactor network, not the
individual reactors.
 2013-07-16 22:10:01 +00:00
Ray Speth
13e707999f [Matlab/Examples] Make constant pressure reactor example more explicit 
Both the reactor and the adjacent reservoir need to have the same pressure. This
example relied on the fact that the default pressure of the 'air' phase is 1
atm, which caused it to break if the user changed the pressure of the reactor
gas.
 2013-07-16 22:09:59 +00:00
Ray Speth
5d6a97f89a [Cython/Examples] Update to use IdealGasReactor 2013-07-16 22:09:55 +00:00
Ray Speth
a616d4f55f [Test] Fix dependencies so Cython tests run after rebuilding 2013-07-16 22:09:53 +00:00
Ray Speth
21d90495d2 [Doc] Describe reactor governing equations 2013-07-16 22:09:51 +00:00
Ray Speth
86b1f3b956 Mark function defined in header as 'inline' 2013-07-16 22:09:49 +00:00
Ray Speth
8a232abc71 [Reactor] Add optimized IdealGasConstPressureReactor class 
Like IdealGasReactor, this formulation uses the temperature as a state variable
to improve performance for the common use case of reactors containing ideal gas
mixtures.
 2013-07-16 22:09:46 +00:00
Ray Speth
9709dd859e [Reactor] Change ConstPressureReactor to support non-ideal phases 
Similar to the change for Reactor, using the total enthalpy as the state
variable works for non-ideal phases, although it is less efficient.
 2013-07-16 22:09:43 +00:00
Ray Speth
785d4f058e [Reactor] Add optimized IdealGasReactor class 
This formulation of the reactor governing equations, with temperature as a state
variable, works better for ideal gas mixtures. This way, most of the Jacobian
components are derivatives at constant temperature, eliminating the need to
recompute the temperature-dependent part of the rate expressions when computing
these entries.
 2013-07-16 22:09:40 +00:00
Ray Speth
c89b7f1c93 [Reactor] Change formulation of Reactor to support non-ideal phases 
Expanding the time derivative of the total internal energy only works for ideal
phases, so for the more general case it is necessary to keep the internal energy
as the state variable and use an iterative method for setting the state.
 2013-07-16 22:09:37 +00:00
Steven DeCaluwe
878abceb6a Removed 'const' declaration from satPressure function for remaining ThermoPhase class members. 2013-07-15 17:44:01 +00:00
Steven DeCaluwe
23b725d3a8 Removed 'const' declaration for function satPressure in members of the ThermoPhase class 2013-07-15 17:43:54 +00:00
Steven DeCaluwe
6321cf4c8e Removed calculatePsat from matlab toolbox, and overwrote 'satPressure' for MixtureFugacityTP 
class to point to the calculatePsat function.  Removed 'const' declaration from satPressure
within the ThermoPhase class.
 2013-07-15 17:43:45 +00:00
Ray Speth
1b9d23c120 [ck2cti] Fix parsing third-body reactions with no efficiencies 2013-07-08 01:35:36 +00:00
Ray Speth
f7fc700c8c [ck2cti] Fix third-body reactions with explicit reverse rate expressions 2013-07-08 01:35:33 +00:00
Ray Speth
a69d56ab28 [ck2cti] Check for duplicate thermo entries 
By default, raise an exception.
With '--permissive', use the first entry found.
 2013-07-08 01:35:30 +00:00
Ray Speth
5d26a264f4 [ck2cti] Add limited support for unterminated sections 
Each section of the input file should end with 'END'. Other utilities that work
with these files don't always require this, so we allow unterminated sections
if the '--permissive' flag is used, otherwise these are considered errors.
 2013-07-08 01:35:27 +00:00
Ray Speth
812ec6ef77 [ck2cti] Fix for mechanism files with in-line transport data 2013-07-08 01:35:23 +00:00
Ray Speth
e8ab4dda28 [ck2cti] Fix handling of thermo entries with end-of-line comments 2013-07-08 01:35:20 +00:00
Ray Speth
ceeea2ed21 [ck2cti] Improve messages for some input file errors 2013-07-08 01:35:18 +00:00
Ray Speth
f1e5183431 [ck2cti] Fix to allow species names starting with special characters 2013-07-08 01:35:15 +00:00
Ray Speth
2778267a43 [ck2cti] Fix reading files with "CR" (old Macintosh) line endings 2013-07-08 01:35:12 +00:00
Ray Speth
4f236a80fe [ck2cti] Fix reading empty THERMO sections 2013-07-08 01:35:10 +00:00
Ray Speth
1cc411200e [Doc] Add description of chemically activated reactions to CTI guide 2013-07-06 21:44:13 +00:00
Ray Speth
08724c9ac3 [ck2cti] Translate "chemically activated" reactions 
These are reactions with an additional set of Arrhenius parameters labeled
'HIGH' in the input file. They may also have a set of falloff function
parameters.
 2013-07-06 21:44:10 +00:00
Ray Speth
27902b32e0 [ck2cti] Separate falloff functions from falloff reaction type 
This is in preparation for adding support for chemically activated reactions,
which also use these falloff functions.
 2013-07-06 21:44:07 +00:00
Ray Speth
da95339706 [ctml_writer] Add support for chemically activated reactions 2013-07-06 21:44:05 +00:00
Ray Speth
77ccab92bd [Kinetics] Implement evaluation of "chemically activated" reaction rates 2013-07-06 21:44:02 +00:00
Ray Speth
1cec7cc051 [Cython] Fix a couple cases where exceptions could escape 2013-07-06 21:43:58 +00:00
Ray Speth
8b87087e41 [Kinetics] Populate m_rxntype 2013-07-06 21:43:56 +00:00
Ray Speth
ef6479f58d Eliminate special case for default falloff function 2013-07-06 21:43:53 +00:00
Ray Speth
ff1473fab7 Remove unimplemented method PecosTransport::getGasTransportData 2013-07-06 21:43:50 +00:00
Ray Speth
eb82cbc998 Remove undeclared function getNamedFloatArray 
This function has no declaration in any header file, so it is clearly not used
anywhere.
 2013-07-06 21:43:48 +00:00
Steven DeCaluwe
06d239a40a Enabled use of the 'calculatePsat' function for MixtureFugacityTP thermo class 
in the Matlab toolbox.
 2013-07-03 15:44:52 +00:00
Ray Speth
ebaefabf08 [Doc] Update info on Visual Studio versions 2013-06-28 21:24:55 +00:00
Ray Speth
b147dee775 [Doc] Provide commands to check out stable or development versions 2013-06-28 21:24:53 +00:00
Ray Speth
7b32a3831a [Doc] Add Cython to list of requirements for the Python module 2013-06-28 21:24:51 +00:00
Ray Speth
ebd4df76ab Fix some Doxygen warnings 2013-06-28 21:24:49 +00:00
Ray Speth
19662496c3 Deprecate VPSSMgr::standardVolumes 2013-06-28 21:24:46 +00:00
Ray Speth
8ded648bf4 Speed up duplicate reaction check in installReactions 
This version of the "participants" key is more likely to have collisions, but
having the key be a simple scalar speeds things up quite a bit.
 2013-06-28 21:24:44 +00:00