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Author SHA1 Message Date
Ray Speth
46b7cf180a [SCons] Make dependency on copying Eigen headers explicit 
SCons seems to miss this dependency sometimes, resulting in confusing failures
while trying to compile DenseMatrix.cpp.
 2019-02-04 16:38:40 -05:00
Ray Speth
dc09040274 [Samples] Fix compilation of Blasius BVP sample with 'scons samples' 2019-02-04 16:38:40 -05:00
Ray Speth
1ec9ce2c01 [1D/samples] Fix C++ flame speed example 
Fixes a regression introduced in 6f45b241.
 2019-02-04 16:38:40 -05:00
Ray Speth
35be561d99 [Matlab] Eliminate unnecessary copy-constructor-like option 2019-02-04 16:38:40 -05:00
Ray Speth
9f5dfbdb12 Document units of Margules interaction parameters 2019-02-04 16:38:40 -05:00
CyberDrudge
d9b95b2efb
[Examples] Fix refinement check in ic_engine.py 
The previous refinement check didn't work because the loop never
reached n2 == 4. Replace is checks with == checks.
 2019-02-01 17:03:31 -05:00
CyberDrudge
05eaa0a5e4
[Examples] Use CanteraError in ic_engine.py 
Related to #569, swap catching bare Exception for the
more specific CanteraError
 2019-02-01 17:03:21 -05:00
Ray Speth
4b3bb8f8fc [Thermo] Fix incorrect documentation in the PDSS class 
PDSS objects do not interact with the MultiSpeciesThermo object for a phase,
but at most a single SpeciesThermoInterpType object.
 2019-01-23 16:43:44 -05:00
Ray Speth
27c64b76f8 [Thermo] VPStandardStateTP does not use reference thermo objects 
Since VPStandardStateTP and derived classes do not use the reference state
thermodynamic properties in the m_spthermo object, we can just install
placeholder objects there, and eliminate the wrapper clas STITbyPDSS.
 2019-01-23 16:43:44 -05:00
Ray Speth
311ae76510 [Thermo] Allow species without thermo data 
In some models, SpeciesThermoInterpType objects on individual species are not
used. Instead of requiring the specification of placeholder thermo data, this
allows the base SpeciesThermoInterpType class to be used, which will throw an
exception if it is inadvertently used.
 2019-01-23 16:43:44 -05:00
Ray Speth
af56138e14 [Thermo] Clean up implementation of MaskellSolidSolnPhase 
Eliminate several member variables which shadow variables of the
VPStandardState class, and actually contained the same information
calculated a different way.
 2019-01-23 16:43:44 -05:00
Ray Speth
4d5cd502a2 [Input] Improve error message for Chemkin files with unrecognized sections 2019-01-10 15:17:33 -05:00
Ray Speth
cbe763836e [Input] Fix file name in error message for errors in surface mechanisms 2019-01-10 15:17:33 -05:00
Ray Speth
1bb081d769 [CI] Pin to SCons 3.0.1 to prevent AppVeyor from skipping tests 
With SCons 3.0.3 on AppVeyor, the 'scons test' command exits immediately without
any output.
 2019-01-10 15:17:33 -05:00
Ray Speth
a347ad36c4 [Input] Fix handling of skipped species in NASA9 input files 
Fixes #582
 2019-01-10 15:17:33 -05:00
Ray Speth
d56b6205fa [Input] Improve detection of invalid lines in reaction entries 
Previously, lines which did not contain a reaction equation or a known keyword
and did not contain any slashes would be silently skipped. This caused reactions
mistakenly written using '->' as the arrow to be ignored without warning.

Fixes #583
 2019-01-10 15:17:33 -05:00
Ray Speth
b633544477 [Python/1D] Retain user-specified products in counterflow premixed flame 
When using the 'auto' solver option, user-provided arguments to
set_initial_guess were not being saved for subsequent calls to set_initial_guess
within Sim1D.solve, causing the solution to always be for equilibrated products.
 2019-01-09 11:44:03 -05:00
arghdos
e3230801c9 Expose getting/setting of max-steps to python interface & test 2019-01-07 22:33:03 -05:00
Ray Speth
19577abfbe Deprecate rarely-used vector functions 2018-12-14 11:27:24 -05:00
Ray Speth
6a859215f8 Replace timesConstant with C++11 lambda 2018-12-14 11:27:24 -05:00
Ray Speth
6f45b241b5 Remove code deprecated in Cantera 2.4 2018-12-14 11:27:24 -05:00
Steven DeCaluwe
0257c4868e Adding test suite coverage for critcal property lookups in RedlichKwongMFTP 2018-12-11 11:08:47 -05:00
Steven DeCaluwe
68a89d0322 Adding critProperties database for RedlichKwongMFTP 
Adds capability for RedlichKwongMFTP to read a database of critical properties
for Tc and Pc of common species, so that users do not need to input pureFluidParameters
for every single species, thereby reducing burden during creation of new cti files.

For any species where pureFluidParameters are not provided by the user, function
getCoeffs scans the database looking for matches.  Any unmatched species will throw
an error.  Currently only scans by species name string, and is only intended for
common species with well-known critical properties.

Current operation is quite slow if the table is consulted for a large number of
species.  In the future, should also implement the capability to write the updated
pureFluidParameters back into the xml file, so the user only has to perform the lookup
once.
 2018-12-11 11:08:47 -05:00
Ray Speth
27d9b6413a [CTML] Remove parsing of vestigial "allow_discontinuous_thermo" option 2018-12-02 23:54:52 -05:00
Ray Speth
442433ad37 [Doc] Note that setting blas_lapack_libs does not make Eigen optional 2018-12-02 23:54:52 -05:00
Ray Speth
9aa507a098 [Kinetics] Make some member functions const 2018-12-02 23:54:04 -05:00
Ray Speth
84535483f9 Check for additional invalid string-to-double conversions 2018-12-02 23:54:04 -05:00
decaluwe
3e9b0e0c07 Updating include/cantera/RedlichKwongMFTP.h to reflect new tests. 
Text in the header file previously commented that the RedlichKwongMFTP
thermo class had no test suite coverage and was at risk for deprecation.
As this is no longer the case, this PR removes that language.
 2018-12-01 00:00:18 -05:00
Bryan W. Weber
1b5f0f4fe9 Update AUTHORS list with authors from all Cantera organization repos 2018-11-30 23:58:32 -05:00
Nick
9f3dc70949 [SCons] Use RPATH for linking shared libraries 
Prevents issues with missing shared libraries at runtime on non-Windows
systems. Can be disabled by setting the SCons flag 'use_rpath_linkage=n'.
 2018-11-30 23:52:36 -05:00
Nick Curtis
c93bddf9a0
Fix #578 2018-11-29 20:31:49 -05:00
Steven C. DeCaluwe
ded7c674e6
Fixing my name 
Capital C, y'all...
 2018-11-16 15:01:48 -07:00
Ray Speth
b2acc43a81 [ck2cti] Improve error messages for unparsable transport entries 
Print the full transport line to aid in identifying the problem
 2018-11-14 10:39:35 -05:00
Ray Speth
4f4a2bd071 [ck2cti] Improve error messages for invalid reaction entries 
Print the full text of the problematic reaction entry

Print the underlying exception message ahead of the traceback
 2018-11-11 23:12:02 -05:00
Ray Speth
c1d721dc94 [Python/Doc] Fix specified units of Boundary1D.mdot 2018-11-11 23:11:41 -05:00
Ray Speth
600580ead4 [Samples] Install build scripts for Blasius BVP example 2018-11-11 22:17:20 -05:00
Ray Speth
c26db356e3 [Samples] Remove unused methods of class BoundaryValueProblem 2018-11-11 22:17:20 -05:00
Ray Speth
b9a5913af0 [Samples] Fix Blasius example to work after removal of Domain1D::residual 2018-11-11 22:17:20 -05:00
Ray Speth
22efbe25dc [1D] rdt is automatically set appropriately during Jacobian evaluation 2018-11-11 22:17:20 -05:00
Ray Speth
8c213da932 [1D] Fix grid refinement for classes not derived from StFlow 
This includes user-developed flow classes, as well as the BoundaryValueProblem
class used in the 'blasius' example.
 2018-11-11 22:17:20 -05:00
Ray Speth
ca8700fdd4 Expand '~' as user homedir shortcut when adding data directories 
This matches the behavior used when searching for specific input files.
 2018-11-11 22:17:20 -05:00
Ray Speth
4fe58661e1 Consider forward slash as directory separator when expanding homedir 2018-11-11 22:17:20 -05:00
Ray Speth
c988f57e01 [Transport] Remove unused constants from WaterTransport.h 2018-11-11 22:17:20 -05:00
Ray Speth
1acb00bc99 [Transport] Remove unused private members of WaterTransport 2018-11-11 22:17:20 -05:00
Ray Speth
680af58950 [CI] Fix a problem with Homebrew on Travis 
See travis-ci/travis-ci#8826 for details.
 2018-11-07 19:50:37 -05:00
bangshiuh
acd75e20fe [Transport] Add IonGasTransport::electricalConductivity 2018-11-07 16:11:23 -05:00
bangshiuh
7986046bdd [Python/Transport] Make mobilities accessible via Python interface 
Also add test_mobility and test_update_temperature to TestIonTransport
 2018-11-07 16:11:23 -05:00
bangshiuh
8e7e27ad62 [Transport] fix temperature update in IonGasTransport::getMobilities 2018-11-07 16:11:23 -05:00
bangshiuh
87b042a231 add test for O2- mix. diff. 2018-10-09 16:33:40 -04:00
bangshiuh
7f13f4d832 add O2/O2- collision data to deal with resonant charge transfer effect 2018-10-09 16:33:40 -04:00