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Author SHA1 Message Date
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
Ray Speth
8587abf17f Fixed an uninitialized variable in Domain1D 2012-12-18 00:13:48 +00:00
Ray Speth
1e91bd59af [1D/Cython] Set pressure when restoring solution from XML file 
This partially addresses Issue 90.
 2012-12-18 00:10:48 +00:00
Ray Speth
14426bfc86 [1D] Added loglevel argument to control output from save and restore 
Passing loglevel=0 to Sim1D::save or Sim1D::restore will suppress all output
from these functions. The default loglevel maintains the normal level of output.
 2012-12-18 00:09:29 +00:00
Victor Brunini
95e66cd5ff Get rid of static variables in member functions. 2012-12-17 16:14:14 +00:00
Harry Moffat
ea25de7fe7 Continuing transfering LiquidTransport changes, doing bugfixes, and 
qualifying against our testsuite.
 2012-12-15 00:49:14 +00:00
Victor Brunini
bd653e357f Revert change to LiquidTransport. 2012-12-13 22:16:50 +00:00
Victor Brunini
749f988e52 Convert LiquidTransport to just store a pointer to the external 
gradient (T, X, V) values that it uses to compute fluxes. These
are never changed by the LiquidTransport object so there is no
reason to have them stored locally rather than just holding a pointer
to the data.
 2012-12-13 22:15:35 +00:00
Victor Brunini
2eba1ee7c8 PDSS_IonsFromNeutral does not own the neutralMoleculePhase_ pointer 
and the state of the neutralMoleculePhase_ is updated by the
VPSSIonsFromNeutral phase object that the PDSS_IonsFromNeutral
species object belongs to. Remove neutralMoleculePhase_->setState
calls from PDSS_IonsFromNeutral to avoid duplicate work, and make
it a const * to reflect that.
 2012-12-13 22:15:14 +00:00
Victor Brunini
d4d1093957 Performance improvements focused on Stefan-Maxwell liquid transport 
model for molten salts.

Summary:
- Division is expensive, replace repeated division with multiplication
  by stored 1/x.
- New and delete are expensive, make working vectors in some functions
  static so that they are not repeatedly instantiated and deleted.
- Reorder a few loops to reduce computation and hopefully cache misses.
 2012-12-13 22:14:36 +00:00
Victor Brunini
4f41718e5b Make all ThermoPhase setState functions virtual. 2012-12-13 22:14:02 +00:00
Ray Speth
b4f34045a8 [1D] Added a minimum grid spacing parameter 2012-12-06 17:31:44 +00:00
Ray Speth
347029d06a [1D] Added loglevel for saving residual components 
At loglevel 8, the residual after each Newton step, set of time steps, or grid
refinement is saved to 'debug_sim1D.xml'.
 2012-12-06 17:31:35 +00:00
Ray Speth
ecb930e9f7 [1D] Added a nSpecies() method to Bdry1D 2012-12-04 20:28:43 +00:00
Harry Moffat
c6f7abbf2f Fixed a serious error in InterfaceKinetics that had crept into this branch. 
Started upgrade/update of equilibrium solver
       - Fixed numerical jacobian calculation of the ln activity coefficients.
 2012-11-29 02:18:05 +00:00
Victor Brunini
c3233c1355 Update TransportFactory to allow the specification of the number of 
dimensions in the problem and default it to 1. At present this is
only passed through to the LiquidTransport constructor.

Remove LiquidTransport member m_nDim since the base Transport class
already stores m_nDim.

Don't set m_nDim to 1 in LiquidTransport constructor, it is set by
the Transport constructor.
 2012-11-26 20:19:57 +00:00
Ray Speth
7ed2a02953 StFlow::_getInitialSoln now sets the solution to a valid thermodynamic state 
This fixes errors that occured when the "showSolution" method was called before
explicitly setting the initial solution profile.
 2012-11-14 21:07:13 +00:00