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Author SHA1 Message Date
BangShiuh
3a0f46eb56 [Transport] Add class IonGasTransport 2018-06-15 10:44:46 -04:00
BangShiuh
b7e32e4604 [Transport] add dispersion coefficient and quadrupole polarizability 2018-06-15 10:44:46 -04:00
Ray Speth
4b4128aebd [Doc] Note requirement to call modifySpecies and modifyReaction 
Modifying Reaction and Species objects alone does not affect Kinetics or
ThermoPhase objects unless the modified objects are passed back to
modifyReaction or modifySpecies.
 2018-06-07 16:24:19 -04:00
Ray Speth
a1c12b4a3b [Transport] Implement UnityLewisTransport::getMixDiffCoeffsMass 2018-06-07 13:52:26 -04:00
Ray Speth
d4492f3ea3 [Transport] Note required correction velocity for unity Lewis transport 2018-06-07 13:52:26 -04:00
Ray Speth
3c3ef10f93 [1D/Test] Add flame test for unity Lewis number transport 2018-06-07 13:52:26 -04:00
Armin Wehrfritz
29a3c19399 [Transport] Add test for unity Lewis number transport model 2018-06-07 13:52:26 -04:00
Armin Wehrfritz
d38d9da32c [Transport] Add unity Lewis number transport model 2018-06-07 13:52:26 -04:00
Ray Speth
3c978cdff6 [Equil] Deprecate get/setElementPotentials 2018-06-06 11:54:14 -04:00
Ray Speth
74167cc3eb [Equil] Don't use saved element potentials as initial guess 
Saved element potentials are only valid at equilibrium, and may not be a good
guess for calls to equilibrate() after the state has changed.

By always using the estimation method for the element potentials at the start of
the ChemEquil algorithm, the results of equilibrate() are repeatable, and do not
depend on the results of previous calls to equilibrate().

Resolves #524
 2018-06-06 11:54:14 -04:00
Bryan W. Weber
dab739013e Remove unnecessary include for fmtlib 2018-05-30 14:16:27 -04:00
Ray Speth
309871ae88 Use header-only form of libfmt 
Avoids problems when trying to link to static versions of libfmt.a which were
built without -fPIC.
 2018-05-30 14:16:27 -04:00
Bryan W. Weber
51d0d43a45 [fmt] Bump fmt submodule to version 5.0.0 2018-05-30 14:16:27 -04:00
Bryan W. Weber
e42b952a8a [SCons] Add INFO output for Eigen 
Prints whether system or private installation is used and the version of
Eigen
 2018-05-30 14:16:27 -04:00
Ray Speth
3be3f7dad5 Make updates for libfmt 5.0.0 backwards compatible 2018-05-30 14:16:27 -04:00
Bryan W. Weber
99d4972e6b Disable fmtlib fmt macro that shadows existing Group::fmt function 2018-05-30 14:16:27 -04:00
Bryan W. Weber
6b3c912ec3 Fix MemoryWriter is no longer available from fmtlib 
In fmtlib 5.0.0, MemoryWriter was removed. The recommendation is to
replace it with memory_buffer
 2018-05-30 14:16:27 -04:00
Bryan W. Weber
c8305375ef
[SCons] Remove <> from unknown git commit string 
The shell was interpreting these as redirect operators during compilation
 2018-05-23 17:36:22 -04:00
Bryan W. Weber
3fac5f2bc6
[SCons] Catch any Exception when checking git commit fails 
It doesn't matter why the check failed, just that it did and we don't know
the commit
 2018-05-23 17:35:49 -04:00
Ray Speth
b26dc65c41 [Doc] Provide links to docs for old versions of Cantera 2018-05-19 22:04:57 -04:00
Ray Speth
55490de871 Fix compiler warning about m_Faraday_dim 2018-05-19 22:04:57 -04:00
Ray Speth
07eed363fe Use std::sort to eliminate need for vcs_optMax 2018-05-19 22:04:57 -04:00
Ray Speth
df6ecb101b [Doc] Fix notation for mixture-averaged diffusion coefficient 
Flame equations are formulated using Dkm *prime* (Eq. 12.180 from Kee et al),
not plain Dkm (Eq. 12.178).
 2018-05-19 22:04:57 -04:00
Ray Speth
172e9ffead [Samples] Remove verbose output from demo F77 wrapper 2018-05-19 22:04:57 -04:00
vishesh devgan
84acdb1a30 [Doc] hydrogen combustion example blank page removed 
Resolves #518
 2018-05-19 11:01:54 -04:00
Jeff Santner
a9ad75e974 [Python] Add get_equivalence_ratio function 2018-05-18 13:06:51 -04:00
Ray Speth
277aa0b913 [ck2cti] Allow convertMech function to be called multiple times 
Each call to convertMech now creates a new Parser object to do the conversion,
rather than requiring the user to do so themselves.

Fixes #528.
 2018-05-16 13:50:33 -04:00
Nick
cc93ce62ca Add cython func defn to expose species viscosity & test equivalence to single-species species viscosity 2018-04-24 21:54:36 -04:00
Bryan W. Weber
b1a010e3a3
[CI] Don't use the --egg option to pip to install SCons 
--egg is removed in pip >= 10.0.0 and is no longer necessary to
to install SCons with more recent versions of setuptools
 2018-04-21 14:47:51 -04:00
Bryan W. Weber
0b8f0283aa
[CI] Don't use a cache directory for pip installations 
pip2 and pip3 used the same cache directory, resulting in a cache
invalidation warning because the Python 2 version of a package is not
compatible with Python 3. Using --no-cache-dir is recommended in
pypa/pip#5250
 2018-04-21 14:47:51 -04:00
Ray Speth
5b4a977df7 [Equil] Improve control of logging in ChemEquil solver 
Use the 'loglevel' argument to the 'equilibrate' function to set the logging
level of the ChemEquil (element potential) solver, instead of relying on the
undocumented, static 'ChemEquil_print_lvl' variable which can only be set from
the C++ interface.
 2018-04-14 16:16:51 -04:00
Ray Speth
d09161716f Fix duplicate key check in parseCompString 
The check was being done at a stage where the token being checked could be just
a part of a key (if the key contained a colon), where this partial key could
correspond to another valid key.

Fixes #525
 2018-04-13 15:33:35 -04:00
Ray Speth
66ba4b5b50 [Doc] Add update of git submodules to code checkout instructions 2018-04-03 09:22:04 -04:00
Ray Speth
39c4103504 Fix Appveyor builds which fail during dependency installation 2018-03-23 17:11:37 -04:00
Chris Neal
0120f2fc5e Updated readme header & added badges 2018-03-22 19:13:36 -04:00
Bryan W. Weber
ed648d308d
[CI] Fix macOS TravisCI builds 
Homebrew switched their default Python recipe to Python 3, so install
python@2 recipe. Also, directly specify which version of Python should
run SCons to prevent picking up the wrong version of Python as the
sys.executable.
 2018-03-13 14:32:09 -04:00
Bryan W. Weber
fde5051131
[Test/1D] Test that solving in inconsistent transport state errors 
If Soret diffusion and mixture-averaged transport properties are
enabled, test that an exception is thrown. Also test that
multicomponent diffusion and Soret diffusion can be enabled/disabled
in either order. Also test that the automatic flame solver
correctly disables Soret diffusion.
 2018-03-13 14:32:09 -04:00
Bryan W. Weber
4bd5e92694
[1D] Check for Soret diffusion in auto flame solver 
Don't use Soret diffusion for the initial solve steps, and re-enable it
at the end if the user desires
 2018-03-13 14:32:09 -04:00
Bryan W. Weber
a03afbd56e
[1D] Throw an exception if transport state is inconsistent 
The user can enable Soret (thermal) diffusion or multicomponent
transport in either order, but attempts to solve flame problems with
Soret enabled and the mixture-averaged transport approximation will
result in an error
 2018-03-13 10:11:52 -04:00
Ray Speth
c9b0bce8b9 [Thermo] Preserve constant property pair when multiplying Quantity 2018-03-09 22:28:48 -05:00
wandadars
de3ec3d53e Added section about Gitter chat 2018-03-01 12:03:44 -05:00
wandadars
8de267f25c Clarified fix number request line 2018-03-01 12:03:44 -05:00
Christopher Neal
e052a44e92 fixed broken link to compilation instructions page 2018-03-01 12:03:44 -05:00
Ray Speth
aac8eb92af [Test] Use XML input files for test_set_equivalence_ratio_sulfur 
Prevents sporadic timeouts when running tests on Appveyor
 2018-02-23 15:21:27 -05:00
Ray Speth
3d59914e6f Update version numbers for Cantera 2.4.0 
Includes pre-reserved DOI for Zenodo
 2018-02-17 16:05:44 -05:00
Ray Speth
d28032e845 Bump development version to 2.4.0b1 2018-02-15 23:59:59 -05:00
Ray Speth
6d22be2a6b Mark unused/untested classes as deprecated 
Deprecated thermo classes: Adsorbate, MetalSHEelectrons, MineralEQ3,
MolarityIonicVPSSTP, PhaseCombo_Interaction

Deprecated kinetics classes: AqueousKinetics

Deprecated transport classes: LTPSpecies, LiquidTranInteraction,
LiquidTransport, LiquidTransportData, LiquidTransportParams, SimpleTransport,
SolidTransport, SolidTransportData, Tortuosity

See #267
 2018-02-15 23:50:11 -05:00
Ray Speth
20f891f1a4 Upgrade Eigen submodule to Eigen 3.3.4 
Also switch to the official git mirror of the mercurial repository
 2018-02-14 22:25:16 -05:00
Ray Speth
a22db9fa22 [Matlab] Check that Reactor contents are Solution objects 
Fix documentation error that incorrectly indicated that Mixture objects could
also be used.
 2018-02-14 22:25:16 -05:00
Ray Speth
322b1fc375 Update Sundials submodule to Sundials 3.1.0 2018-02-14 22:22:42 -05:00