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412 commits

Author SHA1 Message Date
Ray Speth
246bbfa7fb [1D] Prevent removal of the grid point used for the fixed temperature 2013-03-05 17:02:50 +00:00
Ray Speth
6b9fc98fc8 [1D] Pruning may not remove adjacent grid points 2013-03-05 17:02:47 +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
Ray Speth
c084148b0e [SCons] Python module can be installed to user's site-packages directory 
Setting the scons options 'python_prefix=USER' or 'python3_prefix=USER' will
pass the '--user' flag to setup.py, causing the Python module to be installed to
a platform-specific directory on the user's module path.
 2013-03-04 17:31:08 +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
529c9b762a [Transport] Fixed update of multicomponent diffusion coefficients 
Certain temperature-dependent quantities used in computing multicomponent
diffusion coefficients were not being reliably updated. This caused convergence
issues for the 1D solver in some cases.
 2013-02-15 17:32:16 +00:00
Ray Speth
8847b5abac [Kinetics] Ensure that equilibrium constants are not zero 
This prevents reverse rate constants from becoming NaN when the forward rate
constant underflows.
 2013-02-15 17:31:15 +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
3b78634381 Removed extraneous parentheses around arguments to 'delete'. 
'delete' is a keyword, not a function, so the parens are not necessary.
 2013-02-14 01:03:42 +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
70b08a6891 Eliminated some local variable shadowing 2013-02-14 01:03:13 +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
1a0b59efd4 Eliminated unnecessary variable shadowing in write_logfile 2013-02-14 01:03:05 +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
a25c1a43b3 [Kinetics] Fixed crashes when reaction mechanism contains no reactions 
Make sure several arrays are never of length zero so that taking &v[0]
is always well-defined.
 2013-02-14 01:02:18 +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
a1d24776f1 Fixed setting m_nsp in TransportBase 2013-02-07 23:40:48 +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
791c82b0c6 CVodesIntegrator now sets the minimum setp size when [re]initializing 2013-02-07 23:40:35 +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
Ray Speth
0dc32b6a61 Removed duplicate header files introduced in r1978 2013-02-01 23:39:48 +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
31f90fe32d Removed unnecessary typedef for 'index_t' 2013-01-11 22:56:44 +00:00
Ray Speth
d4525f0db7 Removed unused local variables from MargulesVPSSTP 2013-01-11 22:56:37 +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
Ray Speth
db4a1dfe46 Eliminated 'goto' statement in MixtureFugacityTP 2013-01-11 22:55:43 +00:00
Ray Speth
bd2bb215b4 Eliminated 'goto' statements in BasisOptimize.cpp 2013-01-11 22:55:40 +00:00
Ray Speth
17b9e86fb6 Eliminated "goto" statements in StFlow::restore 2013-01-11 22:55:35 +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