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528 commits

Author SHA1 Message Date
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
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
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
3a53ae3660 [1D] Fixed infinite loops in grid refinement / pruning 
Improved determination of the conditions under which points can be removed
without violating the 'ratio' constraint. Previously, required points were being
removed from the grid.
 2013-03-05 17:02:56 +00:00
Ray Speth
68b129eb96 [1D] Fixed singular Jacobian errors after grid modification 
Modification of the grid can interfere with the way the fixed temperature point
is handled, leading to solver failures. To fix this, the temperature fixed point
is checked and may be recalculated at the start of the solver.
 2013-03-05 17:02:53 +00:00
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