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964 commits

Author SHA1 Message Date
Ray Speth
838f435ca9 [Kinetics] Deprecate class ExchangeCurrent 
Unused duplicate of class Arrhenius
 2015-03-10 22:41:29 +00:00
Ray Speth
ab2beb4c64 [Reactor] Check that contents are assigned before starting integration 2015-02-28 00:24:38 +00:00
Ray Speth
7cdeedb91b [Transport] Provide transitional 'TransportFactory::initTransport' 
There are user-provided classes derived from GasTransport which still call this
method, so a version of it that calls the new method for initializing
GasTransport objects needs to be provided until after Cantera 2.2.
 2015-02-26 21:59:37 +00:00
Ray Speth
2e53890adf Minor cleanup of constructors and destructors 2015-02-26 21:58:42 +00:00
Ray Speth
cf3ad30537 [Kinetics] Changing a rate multiplier invalidates existing ROPs 2015-02-26 21:54:04 +00:00
Ray Speth
cc17716182 Cleanup trailing whitespace 2015-02-26 21:52:52 +00:00
Ray Speth
26c6d93168 [Kinetics] Fix options for skipping undeclared species / third bodies 2015-02-26 00:13:29 +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
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
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
Thomas Fiala
4bc4fda90c Add C++ and Cython support for computing elemental mass/mole fractions 2015-02-17 23:23:51 +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
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
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
ad1cd8c7bb Remove unnecessary numerical constants 2015-01-15 21:15:07 +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
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
07fd8e26c0 [Transport] Move gas transport initialization to class GasTransport 
Model-specific initialization code belongs in the classes implementing
the corresponding model, not in TransportFactory.
 2015-01-07 23:30:57 +00:00
Ray Speth
141e7d9b40 [1D] Make argument to Inlet1D::setMoleFractions const 
Fixes Issue 246.
 2015-01-06 23:37:31 +00:00
Ray Speth
e05da2a6a5 [Transport] Fix conversion of dipole moments from Debye to SI units 
The existing formulas for converting Debye to SI units did not maintain the
correct dimensionality for the dipole moment. The updated formulas do not change
the results of any calculations, but the dipole moment is now correctly
expressed in Coulomb-meters.
 2015-01-06 23:37:28 +00:00
Steven DeCaluwe
8070d661d2 Tidying up cp_Ref calcualtions in MultiTransport 2014-12-16 19:40:23 +00:00
Steven DeCaluwe
1f6d0d898a Forgot to delete old definition of 'cp' in previous commmit. 2014-12-16 13:32:11 +00:00
Steven DeCaluwe
661758d64d Correcting Cp_ref calculation in MultiTransport, which previously 
assumed an ideal gas phase.
 2014-12-16 13:32:08 +00:00
Ray Speth
ddfc15bb77 Allow CANTERA_DATA to include multiple directories 2014-12-12 01:36:56 +00:00
Ray Speth
7d19ee9488 Remove unneeded work array management from MultiNewton 2014-12-12 01:36:45 +00:00
Ray Speth
0ad587f50b Remove some unnecessary temporary references 2014-12-12 01:36:35 +00:00
Ray Speth
ba42bc6da2 [Doc] Remove suppression of Doxygen autolinking 
In those cases where the name is actually a reference to the class, we actually
want Doxygen to apply formatting to the name and link to the class's
documentation, so we shouldn't suppress that behavior with the prepended '%'.
 2014-12-05 23:33:24 +00:00
Ray Speth
4ca0bedecd Remove unnecessary use of const_cast 2014-12-05 23:33:17 +00:00
Ray Speth
d830012340 Remove unnecessary explicit calls to operator() and operator= 2014-12-05 23:33:15 +00:00
Ray Speth
cdf764be4a [Transport] Allow CK_Mix and CK_Multi transport models in 1D flames 2014-11-19 20:27:57 +00:00
Ray Speth
4e99746457 [Kinetics] Allow explicit specification of the sticking species 2014-11-15 19:26:37 +00:00