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266 commits

Author SHA1 Message Date
Ray Speth
00a4e04ce0 Removed unused error flag definitions from reaction_defs.h 2013-04-03 23:10:10 +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
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
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
Ray Speth
4671f857d0 Cleaned up Doxygen documentation for class StatMech 2013-03-07 18:51:08 +00:00
Ray Speth
01b57ba821 Cleaned up Doxygen documentation for thermo factory classes 2013-03-07 18:51:04 +00:00
Ray Speth
b3a1e1e47c [Cython/1D] 1D solver can be interrupted by ctrl-c 
By calling a pure Python function each time OneDim::eval is called, we can
catch KeyboardInterrupt exceptions and abort the 1D solver loop, returning
control to Python.

Partially addresses Issue 93.
 2013-03-04 17:31:41 +00:00
Ray Speth
229ef825f0 [Kinetics] Refactored GasKinetics to more easily support derived classes 2013-03-04 17:31:32 +00:00
Ray Speth
57a9a3f458 Cleaned up Doxygen documentation for class PDSS and descendants 2013-03-04 17:31:27 +00:00
Ray Speth
3426b73b7a Cleaned up Doxygen docs for class SpeciesThermoInterpType and descendants 2013-03-04 17:31:22 +00:00
Ray Speth
c68e01d475 Cleaned up Doxygen documentation for class SpeciesThermo and descendants 2013-03-04 17:31:19 +00:00
Harry Moffat
3cc0aa1689 Fixed an overloaded operator error 
Fixed a compilation error that occurred in DEBUG_MODE
 2013-02-25 20:00:24 +00:00
Ray Speth
fae8197bd4 [Transport] Check that mole fractions are different before recalcuating 
This avoids recomputing and factorizing the L matrix under some circumstances,
such as when both thermal conductivity and the Soret coefficients are requested
for the same mixture.
 2013-02-15 17:32:19 +00:00
Ray Speth
934010136d Removed unnecessary temporaries used for storing return values 2013-02-14 01:04:07 +00:00
Ray Speth
e04e59cdd3 Removed extraneous parentheses around arguments to 'return' 
'return' is a keyword, not a function, so these parens are unnecessary.
 2013-02-14 01:03:48 +00:00
Ray Speth
6d6e237f07 Removed unnecessary checks surrounding delete operations 2013-02-14 01:03:32 +00:00
Ray Speth
4e3a79394b Eliminated some shadowing of member variables by function arguments 2013-02-14 01:03:19 +00:00
Ray Speth
8a17523715 Use the "charge" member function consistently to access species charges 
Eliminated local alias to array of charges in some functions. Inlined the
"charge" function to mitigate any performance impact. Fixes a number of shadowed
variable warnings.
 2013-02-14 01:03:09 +00:00
Ray Speth
d59cac4ca0 Cleaned up Doxygen docs for other descendants of ThermoPhase 2013-02-14 01:02:58 +00:00
Ray Speth
b15640a741 Cleaned up Doxygen documentation for class SurfPhase and descendants 2013-02-14 01:02:54 +00:00
Ray Speth
6b0a708389 Cleaned up Doxygen docs for class SingleSpeciesTP and descendants 2013-02-14 01:02:46 +00:00
Ray Speth
da33cc66c3 Cleaned up Doxygen docs for class VPStandardStateTP and descendants 2013-02-14 01:02:34 +00:00
Ray Speth
ffd4a7418d Cleaned up Doxygen docs for the Phase and ThermoPhase classes 2013-02-14 01:02:14 +00:00
Harry Moffat
503a12b7aa Added constructors for direct initialization of the IdealGasPhase object. 
Moved destructor to .cpp file.
 2013-02-11 22:39:22 +00:00
Ray Speth
e48bd48c4e [1D] General cleanup of class Refiner 2013-02-07 23:41:49 +00:00
Ray Speth
dc1ffee1a2 Fixed some compiler warnings 
(shadowed virtual functions, initialization order)
 2013-02-07 23:41:42 +00:00
Ray Speth
7da738d238 Re-applied consistent formatting to trunk 
Applied using: astyle -n --style=kr --add-brackets --indent=spaces=4
--indent-col1-comments --unpad-paren --pad-header --align-pointer=type
--lineend=linux
 2013-02-07 23:40:59 +00:00
Ray Speth
7a4be4dcfd Use qualified names for math functions in RxnRates.h 
See Issue 136.
 2013-02-07 23:40:45 +00:00
Ray Speth
a5b1d1f7f6 [Reactor] Added ability to set the CVODES "MaxErrTestFails" variable 
Increasing this value (from the default of 7) will sometimes allow CVODES to
find solutions to problems that previously caused it to fail.
 2013-02-07 23:40:40 +00:00
Ray Speth
67a143f396 Refactored CVodesIntegrator to reduce redundancy when setting options 2013-02-07 23:40:31 +00:00
Ray Speth
15a45de820 Fixed some regressions in indentation consistency 
Problems with vcs_util.cpp were introduced in r1944. Problems with
NonLinearSolver.{h,cpp} were introduced in r1978.
 2013-02-01 23:40:07 +00:00
Ray Speth
9109888882 Fixed regressions in NonlinearSolver introduced in r1978 
Fixed signed/unsigned type consistency, spelling mistakes, and removed
unnecessary macros.
 2013-02-01 23:39:58 +00:00
Harry Moffat
8793fc3bcb Doxygen update 
Doxygen is currently broken. This commit starts to fix some issues.
 2013-02-01 18:59:17 +00:00
Ray Speth
78f6e61703 Combined the shared parts of AxiStagnFlow::eval and FreeFlame::eval 2013-01-17 15:31:36 +00:00
Victor Brunini
64aef5fac7 Rename m_y_n_1 and m_ydot_n_1 to _trial to clarify their intent. 
Add setPreviousTimeStep function to set m_y_nm1 and m_ydot_nm1
so that time derivative calculations can be run for time-dependent
nonlinear solves.

Change m_ydot_nm1 to a std::vector.
 2013-01-15 20:17:00 +00:00
Victor Brunini
a709d5f816 Revert "Removed unused member variable ReactionData.rxn_number" 
This variable is used in some applications we build against
cantera.

This reverts commit 7d7b6dd39d12c2e2bdd2a9d2a959c0aee3c0c4c5.
 2013-01-15 20:16:42 +00:00
Ray Speth
d75bf72e65 Removed duplicated methods from IdealMolalSoln 
The class incorrectly had copies of the non-virtual methods 'electricPotential'
and 'setElectricPotential' from the base class ThermoPhase.
 2013-01-11 22:56:49 +00:00
Ray Speth
31f90fe32d Removed unnecessary typedef for 'index_t' 2013-01-11 22:56:44 +00:00
Ray Speth
50327a665f Moved some function implementations out of InterfaceKinetics.h 
This gets rid of some (mostly spurious) warnings generated by MSVC
 2013-01-11 22:56:33 +00:00
Ray Speth
33653e7f43 Removed unused member variable ReactionData.rxn_number 2013-01-11 22:56:30 +00:00
Ray Speth
83097b3860 Consolidated definitions of repeatedly-used constants 
"MIN_X" and "TINY" are replaced by "Tiny". "xxSmall" is replaced with
"SmallNumber".
 2013-01-11 22:55:46 +00:00
Victor Brunini
9b6b65fe04 Add function to DenseMatrix that multiplies two square matrices. 2013-01-07 18:18:10 +00:00
Ray Speth
205706f5dd [Reactor] Avoid a segfault when using phases with no Kinetics 2013-01-07 18:08:23 +00:00
Ray Speth
1e43e4f333 Added a version of writelog which takes the log level as an argument 2012-12-30 00:17:08 +00:00
Ray Speth
6b8986d0d0 Fixed const-ness of PecosTransport virtual functions 
These now match the function signatures in the base class.
 2012-12-26 23:56:10 +00:00
Ray Speth
46a8b3052f Use size_t instead of int in InterfaceKinetics 2012-12-26 23:56:07 +00:00
Harry Moffat
eab8781ea7 Added back ability to get transport parameters from transport objects. 
Added back read and write of named XML array blocks.
Fixed an error in IonsFromNeutralVPSSTP.
 2012-12-21 01:18:28 +00:00