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Author SHA1 Message Date
Ray Speth
28414eb77d Cleaned up Doxygen docs for equilibrium functions 2013-04-18 22:07:54 +00:00
Ray Speth
723cc0a709 Cleaned up Doxygen docs for class MultiPhaseEquil 2013-04-18 22:07:49 +00:00
Ray Speth
651ce785cc Cleaned up Doxygen docs for class ChemEquil 2013-04-18 22:07:43 +00:00
Ray Speth
d1e438d8dd Cleaned up Doxygen docs for class MultiPhase and related functions 2013-04-18 22:07:37 +00:00
Ray Speth
fde4a33908 Removed duplicate 'lowercase' function from tpx/utils.cpp 2013-04-18 22:07:32 +00:00
Ray Speth
e261fd8ef1 Removed the unnecessary tpx/subs.h file 2013-04-18 22:07:27 +00:00
Ray Speth
5be3edbd5f Cleaned up Doxygen documentation for pure fluid classes 2013-04-18 22:07:17 +00:00
Ray Speth
9a4b843d5e Cleaned up Doxygen docs for class clockWC 2013-04-18 22:07:11 +00:00
Ray Speth
71bc4afe3b Replaced blessed file for cxx_ex equilibrium test 
This test uses an input file (silane.xml) that has discontinuous thermo data
(specifically, for s/R), so its results are affected by the corrections applied
to make the thermo functions continuous.
 2013-04-18 22:07:05 +00:00
Ray Speth
ae96e48b4f [Thermo] Adjust NASA polynomials to eliminate discontinuities 
We expect the high- and low-temperature NASA polynomials for each species to be
continuous in a number of places, despite many frequently used thermo databases
having data that is inconsistent.

In addition to warning about discontinuities, We now modify the provided
coefficients to ensure continuity at the midpoint temperature. This resolves
numerical issues, e.g. with the algorithm used for setting the state of a
reactor network.
 2013-04-18 22:07:00 +00:00
Ray Speth
548f0b1c56 Refactoring to slightly simplify NasaThermo::install 2013-04-18 22:06:55 +00:00
Ray Speth
97da05bc64 Cleaned up Doxygen docs for functions declared in plots.h 2013-04-12 23:07:53 +00:00
Ray Speth
1ee0835e9c Cleaned up Doxygen docs for PrintCtrl and LogPrintCtrl 2013-04-12 23:07:46 +00:00
Ray Speth
65d7cab42e Cleaned up Doxygen documentation for Application and global functions 2013-04-12 23:07:38 +00:00
Ray Speth
07fcf5aab2 Removed unnecessary overloads of writelog for char* 2013-04-12 23:07:30 +00:00
Ray Speth
910b75fc26 Combined overloaded definitions of fp2str and int2str 2013-04-12 23:07:23 +00:00
Ray Speth
5967e952e6 Cleaned up Doxygen docs for functions declared in stringUtils.h 2013-04-12 23:07:15 +00:00
Ray Speth
eec1a6b3ec [1D] Removed min and max attributes from saved profiles 
Actual array values could be outside the assumed bounds as a result of solver
tolerances, so it doesn't actually make sense to check these when restoring the
solution.

Resolves Issue 88.
 2013-04-12 23:07:08 +00:00
Ray Speth
e13116c229 Cleaned up Doxygen documentation of XML-related classes 2013-04-12 23:07:02 +00:00
Ray Speth
1019cdb51e Cleaned up Doxygen docs for CTML functions 2013-04-12 23:06:54 +00:00
Ray Speth
59d615c8d2 Removed the useless SAFE_DELETE macro 2013-04-12 23:06:45 +00:00
Ray Speth
acdf1e3900 Cleaned up Doxygen docs for Stoichiometry Manager classes 2013-04-12 23:06:36 +00:00
Ray Speth
41a23e44d2 Cleaned up Doxygen docs for Reaction path related classes 2013-04-12 23:06:28 +00:00
Ray Speth
c43b02e130 Cleaned up Doxygen docs for KineticsFactory and ImportKinetics 2013-04-12 23:06:20 +00:00
Ray Speth
0b0bbcf88f Cleaned up Doxygen docs for constants used in interface kinetics solver 2013-04-12 23:06:12 +00:00
Ray Speth
2326b07c68 [1D] Reset timestep after grid refinement 
This addresses a performance issue where many failed timesteps would be
taken after adding new grid points. These failed timesteps are slow because
they require additional Jacobian re-evaluations. It is more efficient to
preemptively reduce the time step after adding new grid points.

Resolves Issue 155.
 2013-04-12 23:06:05 +00:00
Ray Speth
255896715c Allow RedlichKwongMFTP objects to be constructed by newThermoPhase 2013-04-12 23:05:59 +00:00
Ray Speth
1909526ba7 Cleaned up Doxygen docs for class solveSP 2013-04-12 23:05:53 +00:00
Ray Speth
68c0270958 Cleaned up Doxygen docs for class ImplicitSurfChem 2013-04-12 23:05:46 +00:00
Ray Speth
76d3a03921 Updated Doxygen documentation for falloff-related classes 2013-04-12 23:05:38 +00:00
Ray Speth
5a0ca5de61 Fixed missing include in Enhanced3BConc.h 2013-04-12 23:05:31 +00:00
Ray Speth
d103ec8d2f Cleaned up Doxygen documentation for class Kinetics and descendants 2013-04-12 23:05:20 +00:00
Ray Speth
50617105b5 Removed inaccurately-named atofCheck in favor of fpValueCheck 2013-04-03 23:10:35 +00:00
Ray Speth
7b7d3ac0d4 Fixed locale-dependent processing of XML files 
Floating point values are read using a std::stringstream imbued with the "C"
locale to avoid problems with using std::atof when the user's locale uses a
character other than "." as the decimal separator.

Patch provided by Phillip Berndt.

Fixes Issue 153.
 2013-04-03 23:10:18 +00:00
Ray Speth
00a4e04ce0 Removed unused error flag definitions from reaction_defs.h 2013-04-03 23:10:10 +00:00
Harry Moffat
cd387a15d7 Fixed an error due to negative size_t values 2013-04-03 19:26:58 +00:00
Harry Moffat
6434e1edca Tightened the tolerances on the phaseStability calculation routine. 
Took out an unnecessary duplication of work.
 2013-03-27 00:35:58 +00:00
Harry Moffat
94cb8cbb65 Fixed printout issues for interfacial voltage variables in equilibrium solver. 
Added a global variable to indicate debug mode.
 2013-03-26 02:26:35 +00:00
Harry Moffat
3c08cba848 Fixed a bug in the equilibrium solver 
Potentials of electron phases were being altered when they shouldn't have been.
 2013-03-23 01:06:36 +00:00
Ray Speth
b82df1b1ea Fixed compatibility of ck2cti with Python 2.6 
re.sub doesn't accept the flags keyword argument until 2.7, but the same
effect can be achieved using re.compile.
 2013-03-13 20:20:31 +00:00
Ray Speth
9a1d6532ba Fixed compilation error when using Sundials 2.3 2013-03-13 20:20:27 +00:00
Ray Speth
c59ee86d5d [1D] Fixed restoration from XML files with missing fields 
This improves compatibility with output files from older versions of Cantera
that don't save the 'energy_enabled' and 'species_enabled' flags.
 2013-03-08 15:32:02 +00:00
Ray Speth
86ce3da4ef [1D] Save and restore grid refinement parameters 2013-03-07 18:51:36 +00:00
Ray Speth
302ebb2c7e [1D] Save and restore energy_enabled and species_enabled flags 2013-03-07 18:51:33 +00:00
Ray Speth
557078229f [1D] Save and restore solver tolerances 2013-03-07 18:51:31 +00:00
Ray Speth
d20476df8e [Cython/1D] Fixed setting of steady and transient tolerances 
Previously, the transient tolerances were being used to solve the steady-state
problem.
 2013-03-07 18:51:27 +00:00
Ray Speth
01bc55e1bb [1D] Refactored Domain1D::save and Domain1D::restore 
Derived class implementations now call the parent class method to save/restore
information represented in the parent class.
 2013-03-07 18:51:23 +00:00
Ray Speth
65fbb10bda [Cython/1D] Made 'grid' an optional parameter 
Having a default initial grid allows restoring a saved solution without creating
a dummy grid that will just be replaced by the one from XML file.
 2013-03-07 18:51:20 +00:00
Ray Speth
e7f580148f Cleaned up Doxygen documentation for class WaterProps and friends 2013-03-07 18:51:17 +00:00
Ray Speth
b4506cebe1 Cleaned up Doxygen documentation for class VPSSMgr and descendants 2013-03-07 18:51:11 +00:00