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Author SHA1 Message Date
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
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
0314eef0f7 [Python] Fixed an error when using a reactor heat flux function 
Fixes Issue 145.

Cherry-picked from 2.0 bugfix branch.
 2013-03-05 17:04:35 +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
c896501f4a [Cython] fixed missing includes in Cython wrapper headers 2013-03-04 17:31:38 +00:00
Ray Speth
d4fb33c688 [Cython/1D] Completed Boundary1D mass/mole fraction property interface 
Added getter for mole fractions and setter for mass fractions. This
requires that the boundary object hold a reference to the thermo object.

Resolves Issue 143.
 2013-03-04 17:31:35 +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
c7ff7dd1cf [SCons] Fixed path to Cantera.mak in sample Makefiles 
Fixes Issue 144.
 2013-03-04 17:31:11 +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
Ray Speth
f41af50461 [SCons] Refactored installation directory configuration 2013-03-04 17:31:05 +00:00
Ray Speth
999231e177 [SCons] Updated post-install message to show Cython module location 
Also fixed path separators to be correct on Windows
 2013-03-04 17:31:03 +00:00
Ray Speth
372d20ce6e [Cython] setup.py no longer makes use of setuptools / distribute 
This makes it easier to install the Python package into non-standard
locations. Requires the 'cythonize' function introduced in Cython 0.17.
 2013-03-04 17:30:56 +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
61abf3869d [Cython] Adjust solver parameters for TestFlowReactor.test_reacting 
This avoids CVODES failures that otherwise occur on some machines.
 2013-02-15 18:20:00 +00:00
Ray Speth
59d8b75340 [Docs] Updated compilation dependencies 2013-02-15 17:50:55 +00:00
Ray Speth
1856a060c9 [SCons] Made installation of gtest optional 
The default is to not install it, since most users do not need it.
 2013-02-15 17:32:31 +00:00
Ray Speth
1bd83d80f4 [Cython] Relaxed some test tolerances 2013-02-15 17:32:28 +00:00
Ray Speth
c3d49950bd [Cython] Fixed location of data directory for unit tests 2013-02-15 17:32:24 +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
3aa84e15e9 [Cython] Fixed a typo in TestDiffusionFlame 2013-02-15 17:31:11 +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