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374 commits

Author SHA1 Message Date
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
77ccab92bd [Kinetics] Implement evaluation of "chemically activated" reaction rates 2013-07-06 21:44:02 +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
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
0a2db03364 Deprecate StFlow::setState 2013-06-28 21:24:40 +00:00
Ray Speth
64f1c8ed73 Remove some incorrect "todo" notes 
These functions are used in Cantera (and even covered by the test suite).
 2013-06-28 21:24:37 +00:00
Ray Speth
e7754fbcf2 [1D] Deprecate vector version of Domain1D::setBounds 
The scalar version is actually easier to use in most cases.
 2013-06-24 15:22:45 +00:00
Ray Speth
3e4c944416 [1D] Simplify interface for setting tolerances 2013-06-24 15:22:38 +00:00
Ray Speth
63b6660632 Deprecate debug methods of PDSS_HKFT 2013-06-24 15:22:33 +00:00
Ray Speth
9d2f7e0220 Deprecate report/modifyParameters methods of SpeciesThermoInterpType 2013-06-24 15:22:25 +00:00
Ray Speth
27f2ccc647 Deprecate Transport::setParameters 2013-06-24 15:22:19 +00:00
Ray Speth
8c95ee035e Deprecate the setParameters and getParameters methods of ThermoPhase 2013-06-24 15:22:08 +00:00
Ray Speth
f7ed3c17f8 Deprecate SpeciesThermo::reportParams 2013-06-24 15:22:00 +00:00
Ray Speth
9b31092e90 Deprecate PrintCtrl and LogPrintCtrl 2013-06-24 15:21:46 +00:00
Ray Speth
7c8d0824f3 Deprecate Cantera.h 2013-06-24 15:21:32 +00:00
Ray Speth
94ac608adb [Kinetics] Consider third-body efficiencies in duplicate reaction checks 2013-06-21 20:58:02 +00:00
Ray Speth
ac0ccec7f5 Use ReactionData struct to store info in class rxninfo 
This eliminates the need the data members of class rxninfo that were
just duplicates of what is in the ReactionData struct.
 2013-06-21 20:57:53 +00:00
Ray Speth
ca3057ce08 [Doc] Add Transport classes to the tranprops group 2013-06-19 22:08:58 +00:00
Ray Speth
d21a6a7be9 [Doc] Create a group for classes in the "onedim" module 2013-06-19 22:08:50 +00:00
Ray Speth
2c4748aaf5 [1D] Deprecate importSolution 2013-06-17 14:20:16 +00:00
Ray Speth
d545a2e598 Deprecate 'testProb' constructors 
These constructors should be removed and any useful test code they
contain incorporated into new or existing tests.
 2013-06-17 14:20:09 +00:00
Ray Speth
dd10230ce1 Deprecate unused VCS functions 2013-06-17 14:20:05 +00:00
Ray Speth
1c7c4938e9 Deprecate getNamedStringValue 2013-06-17 14:20:01 +00:00
Ray Speth
9c542981f1 Deprecate getUnitsStandardConc 2013-06-17 14:19:54 +00:00
Ray Speth
94800445a1 Allow derived classes of MultiTransport 2013-06-14 23:06:21 +00:00
Ray Speth
496dfe31ce Remove extraneous constructor for XML_Node 2013-06-13 22:50:35 +00:00
Ray Speth
112d9b5093 Remove unusable KINETICS_WITH_INTERMEDIATE_ZEROED_PHASES macro 2013-06-13 22:50:26 +00:00
Ray Speth
75e586da0f Remove unusable CHEMKIN_COMPATIBILITY_MODE macro 2013-06-13 22:50:21 +00:00
Ray Speth
9740980c5d Deprecate class GRI_30_Kinetics 2013-06-13 22:50:14 +00:00
Ray Speth
d4be0e605b Remove header for unimplemented 'Crystal' class 2013-06-13 22:50:07 +00:00
Ray Speth
ca8d131092 Fix a few missing includes in header files 
These header files had implicit dependencies on other header files, which are
now made explicit.
 2013-06-13 22:50:03 +00:00
Ray Speth
843f2ad337 Deprecate ctml::getFloats 2013-06-06 15:33:11 +00:00
Ray Speth
18a102c91f Deprecate unused spectroscopy-related classes 2013-06-06 15:33:05 +00:00
Ray Speth
305e4eec54 Deprecate Kinetics::activationEnergies 2013-06-06 15:33:00 +00:00
Ray Speth
a972a7f558 Deprecate class Elements 2013-06-06 15:32:56 +00:00
Ray Speth
a6614b87bb [Doxygen] Fix some incorrect/missing "@file" commands 2013-06-06 15:32:30 +00:00
Ray Speth
11170a0e32 Deprecate class AqueousKinetics 2013-06-05 17:09:59 +00:00
Ray Speth
8757836d64 Deprecate stripLTWScstring 2013-06-05 17:09:54 +00:00
Ray Speth
2483e39ae5 Allow tests to suppress deprecation warnings 
This prevents certain tests from failing comparisons with blessed output files.
 2013-06-05 17:09:46 +00:00
Ray Speth
64bfdcc952 Deprecate support for Sundials 2.2 and 2.3. 2013-06-05 17:09:30 +00:00
Ray Speth
b888df70c4 Clean up Doxygen docs for some liquid transport related classes 2013-06-05 17:09:21 +00:00
Ray Speth
d253fc0d63 Eliminate redundant standard library includes 2013-06-05 17:08:13 +00:00
Ray Speth
be1e95576e Resolve some Doxygen warnings 2013-06-05 03:09:13 +00:00