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Author SHA1 Message Date
Ray Speth
b0bf17dbc6 [Doc] Update compilation instructions 
- Support for Python 3.1 has been dropped.
- Recommend pip instead of easy_install.
 2016-06-24 17:57:26 -04:00
Ray Speth
5fbe2303ca [Python] Fix test suite to work with Python 3.2 
The u'foo' syntax which can be used in Python 2.7 and 3.3+ does not work with
Python 3.2.
 2016-06-24 17:15:14 -04:00
Ray Speth
c557fa84cd [SCons] Reformat libexecstream license and add to merged license file 2016-06-24 15:51:44 -04:00
Ray Speth
e71f22aba1 [SCons] Install license file with licenses for 3rd-party code 2016-06-24 15:27:20 -04:00
Ray Speth
e41a667dba Remove unused scripts from build system 2016-06-23 17:18:49 -04:00
Ray Speth
2c005759b7 [Thermo] Combine SpeciesThermo and GeneralSpeciesThermo 
The new class is named MultiSpeciesThermo, so that (eventually) the name
SpeciesThermo can be used for the single-species class SpeciesThermoInterpType.

Currently, trivial wrappers for classes named SpeciesThermo and
GeneralSpeciesThermo to maintain backwards compatibiity for Cantera 2.3.
 2016-06-23 17:00:15 -04:00
Ray Speth
3d6368b70a [Thermo] Deprecate unused SpeciesThermoInterpType methods 
Deprecate modifyParameters and the default constructor for all classes
derived from SpeciesThermoInterpType.
 2016-06-23 13:45:51 -04:00
Ray Speth
c64b714386 [Reactor] Add flow-device-specific methods for setting coefficients 2016-06-23 11:53:20 -04:00
Ray Speth
7d18120c4d [ck2cti] Allow elements/isotopes with custom atomic weights 
Resolves #344
 2016-06-22 20:22:58 -04:00
Ray Speth
b7e1a5f0bd [Transport] Use correct scaling factor when fitting conductivity 
Fixes #345
 2016-06-20 19:07:56 -04:00
Ray Speth
e100ef9a09 [Python] Fix exception handling when setting soret_enabled 
The C++ exception is now correctly translated to a Python exception, instead of
causing the program to abort.
 2016-05-31 18:55:07 -04:00
Ray Speth
bbb5eed396 Remove unnused code from 'ext' 2016-05-14 22:00:22 -04:00
Ray Speth
df43a474cd [SCons] Modify build system to exclude unused Fortran and f2c code 
Cantera no longer requires BLAS / LAPACK (but can use them if available), so it
is never necessary to compile any of the external Fortran or f2c-converted code.
 2016-05-14 22:00:22 -04:00
Ray Speth
efb068e319 [Numerics] Modify polyfit to use Eigen instead of fortran/f2c code 2016-05-14 22:00:22 -04:00
Ray Speth
230688d31d [Test] Add test of polyfit function 2016-05-14 22:00:22 -04:00
Ray Speth
799695f0de Disable SquareMatrix LAPACK operations when LAPACK is not available 
Because SquareMatrix is unused within Cantera and deprecated, it is not
necessary to implement alternatives for these functions.
 2016-05-14 22:00:22 -04:00
Ray Speth
01d3679664 [Numerics] Deprecate matrix-type argument to GeneralMatrix 2016-05-14 22:00:22 -04:00
Ray Speth
f260e858c0 [Numerics] Deprecate class SquareMatrix 2016-05-14 22:00:22 -04:00
Ray Speth
a7d854f3b9 [Equil] Eliminate direct calls to LAPACK functions 2016-05-14 21:59:27 -04:00
Ray Speth
961ca06cd5 Eliminate the use of SquareMatrix in favor of DenseMatrix 2016-05-14 21:59:27 -04:00
Ray Speth
b49c2e4c2d [Numerics] Use Eigen instead of internal LAPACK for DenseMatrix operations 2016-05-14 21:56:17 -04:00
Ray Speth
bf67cce25f [SCons] Make Eigen available to Cantera 
Check for a system copy of Eigen, and if that is not found, install
Eigen's headers with the Cantera headers. Add the header 'eigen_dense.h'
to provide a single header to include from other locations.
 2016-05-14 21:56:17 -04:00
Ray Speth
41a357aec0 Add Eigen submodule (mirrored on Github at Cantera/eigen-mirror) 2016-05-14 21:56:17 -04:00
Ray Speth
41ae065a6e Use Sundials to solve BandMatrix instead of using internal LAPACK 2016-05-14 21:56:17 -04:00
Ray Speth
efe43b389e [1D] Add callback hooks to make debugging 1D solver easier 
This allows one to define functions in Python which will be called after each
successful time step or steady state solve, from which the state of the solver
can be inspected.
 2016-05-14 17:24:16 -04:00
Ray Speth
11db445caf [Thermo/Doc] Explain why Phase::setMolecularWeight exists 2016-05-14 16:43:35 -04:00
Ray Speth
14b9454819 [C++] Clean up of top-level headers 
These headers should only include general functionality, i.e. base classes and
factory methods. Users working directly with derived types can include the
relevant headers directly.

Deprecate some top-level headers which are not really useful.
 2016-05-14 16:10:10 -04:00
Ray Speth
a2aade2419 [Doc] Add C++ example showing initializaton of Kinetics and Transport 2016-05-14 15:01:09 -04:00
Ray Speth
828cca3c42 [1D] Simplify initial conditions for twin flame 2016-05-14 13:45:27 -04:00
Ray Speth
ed72984361 [Test/1D] Add test for twin flame 2016-05-14 13:06:45 -04:00
Santosh Shanbhogue
f699748d0e [1D/Python] Add a Twin Premixed Counterflow Flame class and example 
Resolves #340
 2016-05-14 11:48:53 -04:00
Ray Speth
920ff1d897 [Kinetics] Make better use of local variables 2016-05-12 16:33:33 -04:00
Ray Speth
248874de83 [Doc] Add description of sticking reaction parameterization 2016-05-11 14:45:36 -04:00
Ray Speth
77e6f9c0d0 Deprecate Array2D::axpy 2016-05-10 22:21:28 -04:00
Ray Speth
fc33778451 Use correct value for gas constant 
Even if it's just for part of an initial guess
 2016-05-10 22:16:46 -04:00
Ray Speth
46684646ee [Thermo] DebyeHuckel::_nonpolarActCoeff is a static method 
Definition now corresponds to documentation
 2016-05-10 22:13:43 -04:00
Ray Speth
94be25ae97 Remove duplicate definitions of LTPerror and LTPmodelError 2016-05-10 22:10:49 -04:00
Ray Speth
812290dc37 [Thermo] Deprecate ThermoPhase::installSlavePhases 
For the only class in which this is used (LatticeSolidPhase), all initialization
can be performed in the initThermo method.
 2016-05-10 20:20:35 -04:00
Ray Speth
491816f706 [Thermo] Remove overload IdealSolidSolnPhase::logStandardConc 2016-05-10 18:33:41 -04:00
Ray Speth
8ff82c06ce [Reactor] Add componentName function to ReactorNet and Reactor classes 2016-05-09 22:42:45 -04:00
Ray Speth
3a129677df [Test/Reactor] Add test to calculate sensitivity of ignition delay 
Compare result of calculating sensitivity by modifying Species object
with result using CVODES to integrate sensitivity equations
 2016-05-09 13:24:54 -04:00
Ray Speth
cf13b318f4 [Reactor] Implement enthalpy of formation sensitivity analysis 2016-05-08 18:24:14 -04:00
Ray Speth
f081fa3f91 [Doc] Add NumPy import to Python tutorial 2016-05-05 10:16:13 -04:00
Ray Speth
4eea27b0a4 Update cppformat (now fmt) 
Update to current master (pre-3.0), and change remote repository to reflect name
change from cppformat to fmt. Needed to be updated now because one of the
submodules referenced in the 1.1.0 release no longer exists due to the change in
the Github organization name from cppformat to fmtlib.
 2016-05-03 15:03:52 -04:00
Ray Speth
2561ab82e3 [Equil] Check index bounds for known problems in VCS_SOLVE 
See #187
 2016-05-03 15:03:52 -04:00
Ray Speth
aa5f26bda6 [Thermo] Check dynamic_cast to PDSS_Water 
Resolves #6
 2016-05-03 15:03:52 -04:00
Ray Speth
ca2a330d5f [XML] Include file name in XML-related errors 
Resolves #40
 2016-05-03 15:03:51 -04:00
Ray Speth
26b937651b [XML] Improve error message generated by XML_NoChild 2016-05-03 15:03:51 -04:00
Ray Speth
6003af01a3 [XML] Add version of XML_Node::build that takes file name directly 2016-05-03 15:03:51 -04:00
Ray Speth
c7a1a57fbd [Reactor] Eliminate re-ordering of sensitivity parameters 
Passing the full parameter vector to evalEqs for each reactor and wall
eliminates the need to re-order the parameter vector. Instead, each reactor and
wall just needs to know the indices of its sensitivity parameters, which are now
returned by ReactorNet::registerSensitivityReaction.
 2016-05-01 20:35:34 -04:00