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Author SHA1 Message Date
Ray Speth
d4ddabc76c Use system-installed version of fmt library if available 
Resolves #348.
 2016-07-05 14:17:01 -04:00
Ray Speth
4e23793ebd Update fmt to version 3.0.0 and fix compatibility issues 
Resolves #349.
 2016-07-05 13:52:46 -04:00
Ray Speth
f985169e93 Introduce basic registration capabilities for factories 2016-07-04 16:01:31 -04:00
Ray Speth
64bb049647 [Numerics] Handle zero-size timestep in CVodesIntegrator::advance 
This permits simpler integration loops starting from t=0
 2016-07-04 16:01:31 -04:00
Ray Speth
7e4e4fd0d3 Remove unused input data files 2016-06-30 20:23:48 -04:00
Ray Speth
e12738a5c4 [CTI/Doc] Species and element names must be separated by spaces 
Documentation claimed commas could be used as well, but this did not actually
work.

Resolves #341.
 2016-06-29 18:13:41 -04:00
Ray Speth
b26b8c4bab [Doc] Correct documentation relating to species "size" 2016-06-29 16:36:47 -04:00
Ray Speth
b31e9a1bf1 Miscellaneous cleanup 2016-06-28 18:03:04 -04:00
Ray Speth
cd958a343b [1D] Make better use of local variables 2016-06-28 17:35:40 -04:00
Ray Speth
ce9a17fb76 [Reactor] Make better use of local variables 2016-06-28 16:58:51 -04:00
Ray Speth
4b8f8b692a [Reactor] Deprecate Wall-based method for adding surface chemistry 
The new method using class ReactorSurface should be used instead.
 2016-06-28 14:37:59 -04:00
Ray Speth
a7aec575a9 [Matlab] Make ReactorSurface available in Matlab 2016-06-28 14:37:59 -04:00
Ray Speth
c3b9a0c821 [Python] Make ReactorSurface available from Python 2016-06-28 14:16:18 -04:00
Ray Speth
3f766370b9 [Reactor] Add ReactorSurface to simplify use of surface reactions 
This separates the handling of interactions between reactors (mediated by
Wall objects) and surfaces on which surface reactions occur (handled by
ReactorSurface). This simplifies the implementation within reactor, and
reduces the complexity of user code involving surface reactions by
eliminating the need to set up a Reservoir object for the opposite side
of a Wall object that is only being used for surface reactions.
 2016-06-28 14:16:18 -04:00
Ray Speth
a8c6fe09d9 [Transport] Make better use of local variables 2016-06-27 17:11:00 -04:00
Ray Speth
fd4cbb8718 [Doc] Fix spelling errors 2016-06-27 14:30:49 -04:00
Ray Speth
b88e2cb00d [Matlab] Deprecate constants.m 2016-06-27 14:16:48 -04:00
Ray Speth
ffeef2240a [Matlab] Deprecate Domain1D::z (duplicate of Domain1D::gridPoints) 2016-06-27 14:11:19 -04:00
Ray Speth
668634c969 [Thermo] Deprecate classes tpx::leekesler and tpx::RedlichKwong 
These are implementations of tpx::Substance which cannot actually be
instantiated from within the PureFluidPhase wrapper class.

The broken implementation of a CTML class for redlich_kwong is removed here.

A functional implementation of the Redlich-Kwong equation of state remains in
class RedlichKwongMFTP.

Resolves #263
 2016-06-26 20:31:48 -04:00
Ray Speth
36cff8e368 [CTML] Fix docstring of class liquid_vapor 
See Issue #263
 2016-06-26 20:30:22 -04:00
Ray Speth
a338610934 [Thermo] Correct docstring for ThermoPhase::initThermoFile 2016-06-24 23:14:17 -04:00
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