Ray Speth
ee9b153efb
Improve performance of reading species info from XML
...
Avoid an O(N) lookup for the thermo info for each species. Using an
unordered_map would be even better, but there's no portable way to do that
without Boost.
2013-06-28 21:24:42 +00:00
Ray Speth
65a97d9b62
[1D] Restore domains based on sequence rather than name
...
Instead of searching the XML tree for nodes where the "id" attribute matches,
require that the domains occur in order from left to right (corresponding to how
they are saved).
Fixes Issue 164.
2013-06-26 00:23:07 +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
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
d060cba434
Fix a memory error in IdealGasPhase::cv_vib and cv_tr
...
The array 'c' is only long enough to hold the thermo parameters filled in
by the StatMech class, so it's necessary to make sure the type is correct
first and abort if it's not, rather than calling reportParams first and
corrupting the stack.
2013-06-24 15:21:55 +00:00
Ray Speth
123544e4f7
[VCS Equil] Eliminate unnecessary calls to reportParams
2013-06-24 15:21:51 +00:00
Ray Speth
9b31092e90
Deprecate PrintCtrl and LogPrintCtrl
2013-06-24 15:21:46 +00:00
Ray Speth
89664920e8
Eliminated use of PrintCtrl in ChemEquil debug mode
2013-06-24 15:21:40 +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
0945a6de9b
[clib] Enable access to critical properties of non-pure phases
...
Previously, only the critical properties of PureFluidPhase objects could be
accessed, but there are other ThermoPhase classes (specifically,
RedlichKwongMFTP) which overload the critTemperature, critPressure, and
critDensity functions.
2013-06-19 15:26:54 +00:00
Ray Speth
b3708cdab5
[Kinetics] Allow reactions with A = 0.0
2013-06-17 14:20:30 +00:00
Ray Speth
97ff4fa2a5
[SCons] Fix handling of blas_lapack_dir and boost_lib_dir
...
These need to be added to LIBPATH as entries in a list, otherwise
LIBPATH ends up concatenating the strings for each as a single entry.
2013-06-14 23:06:29 +00:00
Ray Speth
7b7e578500
[Transport] Avoid unnecessary L-matrix solves
2013-06-14 23:06:24 +00:00
Ray Speth
e013e8b966
Add __version__ attribute to (legacy) Python module
2013-06-13 22:50:40 +00:00
Ray Speth
496dfe31ce
Remove extraneous constructor for XML_Node
2013-06-13 22:50:35 +00:00
Ray Speth
77ed000090
Deprecate WF93 falloff parameterization
2013-06-13 22:50:30 +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
Victor Brunini
e17d099b96
Fix lower_bound not found build error.
2013-06-11 19:41:30 +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
56d481785c
Deprecate HTML log files
2013-06-05 17:09:39 +00:00
Ray Speth
64bfdcc952
Deprecate support for Sundials 2.2 and 2.3.
2013-06-05 17:09:30 +00:00
Ray Speth
633576afe6
Deprecate class FtnTransport
2013-06-05 17:09:26 +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
Ray Speth
f75ba112f9
Clean up Doxygen docs for 1D simulation classes
2013-06-05 03:09:03 +00:00
Ray Speth
3305698b6a
Add support for Visual Studio 2012
2013-06-03 22:17:23 +00:00
Ray Speth
00da5bead5
Remove some dead code
2013-06-03 22:17:19 +00:00
Ray Speth
8d004658d7
Update Doxygen docs for other Reactor-related classes
2013-06-03 22:17:12 +00:00
Ray Speth
5a94876c91
Update Doxygen docs for class ReactorBase and descendants
2013-06-03 22:17:05 +00:00
Ray Speth
9bb90a395e
Clean up Doxygen docs for MMColisionInt
2013-06-03 22:16:56 +00:00
Ray Speth
0fc6861892
Clean up Doxygen docs for LiquidTranInteraction and descendants
2013-06-03 22:16:52 +00:00
Ray Speth
6a1ebcd9d7
Clean up Doxygen docs for TransportParams and descendants
2013-06-03 22:16:46 +00:00
Ray Speth
a8fea51046
Clean up Doxygen docs for TransportFactory
2013-06-03 22:16:41 +00:00
Ray Speth
098a87cdcd
Clean up Doxygen documentation for class Transport and descendants
2013-06-03 22:16:29 +00:00
