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Author SHA1 Message Date
Ray Speth
cc17716182 Cleanup trailing whitespace 2015-02-26 21:52:52 +00:00
Ray Speth
72e0d650b4 [ck2cti] Automatically add the 'negative_A' flag where necessary 2015-02-26 00:13:39 +00:00
Ray Speth
74f1cf05b1 [ck2cti] Narrow implicit end-of-section test 
Assume that the new section label must be the first word on a line
 2015-02-26 00:13:34 +00:00
Ray Speth
26c6d93168 [Kinetics] Fix options for skipping undeclared species / third bodies 2015-02-26 00:13:29 +00:00
Ray Speth
e3c598a619 [Doc] Fix formatting problem in OS X installation instructions 2015-02-25 19:48:38 +00:00
Ray Speth
60c221c845 [Kinetics] Combine ThirdBodyMgr and Enhanced3BConc as ThirdBodyCalc 
The old classes are now deprecated. The name change was needed to avoid
collisions with no-longer-necessary template parameter.
 2015-02-20 23:44:41 +00:00
Ray Speth
dab74d2d10 [Thermo] Deprecate mean_Y and sum_xlogQ methods of class Phase 2015-02-20 23:44:36 +00:00
Ray Speth
2ed8552939 [Thermo] Add a version of Phase::mean_X that takes vector_fp 
This simplifies all internal calls to this function
 2015-02-20 23:44:21 +00:00
Ray Speth
afb5b13eb4 [Python/Reactor] Use constant pressure reactor instead of adding Wall 
This shows the preferred method for simulating a constant pressure reactor,
rather than using a Wall with a high expansion rate coefficient which introduces
unnecessary stiffness to the problem.
 2015-02-20 23:43:38 +00:00
Ray Speth
0ad8d45baf [Thermo] Deprecate classes PseudoBinaryVPSSTP and electrodeElectron 2015-02-20 23:43:29 +00:00
Ray Speth
09ce99dc83 [Thermo] Eliminate redundant assignment of m_kk 
m_kk is automatically set as species are added to a phase.
 2015-02-20 23:43:12 +00:00
Ray Speth
42e7061bd8 [Thermo] Remove unnecessary counter variables 
These counter variables just stored the length of another std::vector
member variable.
 2015-02-20 23:43:04 +00:00
Ray Speth
17bb09a2da [Equil] Remove unused member variables from VCS_SPECIES_THERMO 2015-02-20 23:42:54 +00:00
Ray Speth
0f6fde82bd [Test] Update NasaPoly1Test to use the new SpeciesThermo constructor 2015-02-20 00:11:41 +00:00
Ray Speth
999a6e4615 [Thermo] Add missing variable to GeneralSpeciesThermo copy constructor 
(and assignment operator)
 2015-02-20 00:11:37 +00:00
Ray Speth
b4492cb8a3 [Thermo] Whitespace cleanup in MaskellSolidSolnPhase 2015-02-20 00:11:30 +00:00
Ray Speth
d7cbb30086 Eliminate unnecessary manual memory management of XML_Node 
This also eliminates memory leaks that would occur if an exception were raised
in these methods.
 2015-02-20 00:11:19 +00:00
Ray Speth
70b51c797c Fix function named specified in checkReactionBalance exception message 2015-02-20 00:11:16 +00:00
Ray Speth
e545d123c2 [Kinetics] Relax tolerance on reaction element balance 
This allows use of some mechanisms with imprecise fractional product
stoichiometries.
 2015-02-20 00:11:12 +00:00
Ray Speth
79cf2dcba7 Remove empty comment blocks 2015-02-20 00:11:05 +00:00
Ray Speth
10b73473f9 [Test] Add tests for elemental mass/mole fraction and mixture fraction 2015-02-17 23:24:00 +00:00
Thomas Fiala
faf222ca57 [1D/Python] Add method for calculating mixture fraction in diffusion flames 2015-02-17 23:23:57 +00:00
Thomas Fiala
4bc4fda90c Add C++ and Cython support for computing elemental mass/mole fractions 2015-02-17 23:23:51 +00:00
Thomas Fiala
6b5b8e7735 [1D] Add convenience functions for heat release rate 2015-02-16 17:24:34 +00:00
Ray Speth
170d50676a [Doc] Document definition of the sensitivity coefficient 2015-02-12 04:04:55 +00:00
Ray Speth
71d57330b6 [Thermo] Deprecate methods of IdealGasPhase that only worked for StatMech 2015-02-12 04:04:51 +00:00
Ray Speth
7acf0378c6 [Thermo] Improve usage of local variables 
Also eliminate some unnecessary temporary variables.
 2015-02-12 04:04:18 +00:00
Ray Speth
004798aef4 Remove unused header files 2015-02-12 04:04:15 +00:00
Ray Speth
86393cda42 [ck2cti] Allow conversion of standalone species thermo databases 
This is useful when the species definitions are going to be used to define
phases in other input files.
 2015-01-22 00:04:28 +00:00
Ray Speth
efb80dfe05 Remove unnecessary delimiter lines between functions 
A single line of white space is sufficient and consistent. Also moved a couple
Doxygen strings out of source files.
 2015-01-22 00:04:24 +00:00
Ray Speth
b8a99b4b83 Remove unnecessary explicit calls to default constructors 2015-01-22 00:04:12 +00:00
Ray Speth
0a3332aa43 [Thermo] Add simpler constructors for SpeciesThermoInterpType objects 
These objects do not need to know the index of the species within the phase, so
the new constructors do not take that as an argument.

For the NASA polynomial constructors, the order of the coefficients arrays in
the new constructors has been modified to match the conventional ordering of the
coefficients as written in thermo database files.
 2015-01-22 00:04:06 +00:00
Ray Speth
8d9f59a042 [Test] Modifiy regex for floats to avoid spurious matches like '3-4' 2015-01-22 00:04:05 +00:00
Ray Speth
598e47d644 [Thermo] NasaPoly1 stores coefficients in the conventional order 2015-01-22 00:04:03 +00:00
Ray Speth
b63d759918 [1D] Remove unused members of class StFlow 2015-01-15 21:15:24 +00:00
Ray Speth
020f3e756c [1D] Only update radiation flux for specified range grid points 2015-01-15 21:15:22 +00:00
Ray Speth
af447cb85f [1D] Avoid repeated search for indices of radiating species 
Also, look for both uppercase and lowercase species names
 2015-01-15 21:15:20 +00:00
Ray Speth
bade514587 [1D] Fix up getters/setters/default values for radiation values 2015-01-15 21:15:18 +00:00
Andreas Rücker
49c963143e [1D] Add simple radiation model for flames 
Implements the radiation model of Liu & Rogg (1991). Optically thin limit,
gray-gas approximation using Planck mean absorption coefficients. Considers
emissions from CO2 and H2O, with the temperature-dependent absorption
coefficients calculated using polynomial fits to results from RADCAL
(Grosshandler, 1993).
 2015-01-15 21:15:15 +00:00
Ray Speth
217a001a08 [Doc] Correct title of "Chemically Reacting Flow" 2015-01-15 21:15:12 +00:00
Ray Speth
ad1cd8c7bb Remove unnecessary numerical constants 2015-01-15 21:15:07 +00:00
Ray Speth
a9754874dc [Doc] Document MacPorts installation option 
Thanks to Thomas Fiala for writing the Cantera portfile and getting it added to
MacPorts.
 2015-01-13 23:07:06 +00:00
Ray Speth
fdf7db716e [Transport] Construct gas phase Transport without GasTransportParams 
Since most of the members of class GasTransportParams were copied to
MixTransport or MultiTransport, they have instead been made members of
GasTransport and populated directly, making class GasTransportParams
unnecessary.
 2015-01-13 23:07:00 +00:00
Ray Speth
44a99de4e0 [Test] Add tests for manually-constructed Transport objects 2015-01-13 23:06:59 +00:00
Ray Speth
bdc568d416 [Transport] Make constructors for MixTransport and MultiTransport public 2015-01-13 23:06:57 +00:00
Ray Speth
9f6c9e3a46 [ck2cti] Fix reading some input files containing non-unicode characters 
In Python 3, attempting to convert some mechanisms would give errors like the
following:

UnicodeDecodeError: 'utf-8' codec can't decode byte 0x96 in position 348:
invalid start byte
 2015-01-12 19:55:37 +00:00
Ray Speth
94d924e32d [Transport] Use gas transport data from Species objects 
This makes initialization of GasTransport objectsindependent of the XML input
format.
 2015-01-08 23:36:26 +00:00
Ray Speth
2a50dc50f7 [Thermo] Add accessor for Species objects 2015-01-08 23:36:24 +00:00
Ray Speth
8022e9e01e [Transport] Add gas phase transport parameters to Species objects 2015-01-08 23:36:22 +00:00
Ray Speth
5f33f426b8 Remove bogus transport data from stoichSolidKinetics test input file 2015-01-08 23:36:19 +00:00