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Author SHA1 Message Date
Ray Speth
11f6c2f993 Consolidate duplicate species checks in Phase::addSpecies 2016-09-10 21:45:24 -04:00
Ray Speth
e49f843797 [Python] Prevent adding species to in-use Thermo objects 2016-09-09 22:50:17 -04:00
Ray Speth
178b452a49 [Transport] Automatically reinitialize after change in number of species 
This makes it possible for GasTransport objects to work reasonably well with
ThermoPhase objects that have had species added to them. The main changes
required are to make the initialization functions idempotent.
 2016-09-09 22:50:17 -04:00
Ray Speth
46b97beee7 [Transport] Restore temperature after fitting properties 2016-09-09 22:50:17 -04:00
Ray Speth
1660167bd7 Allow adding species / reactions from Python 
This enables the base functionality, but does not protect against any erroneous
usage.
 2016-09-09 22:50:17 -04:00
Ray Speth
85e2e9968b [Thermo] Deprecate RedlichKisterVPSSTP::Vint 2016-09-08 17:21:20 -04:00
Ray Speth
340c1bf60a Remove some unused variables 2016-09-08 17:21:20 -04:00
Ray Speth
dd7a374914 Add Appvyeor config file 2016-09-06 20:34:24 -04:00
David Sondak
6138a39faa Remove dummy element from elements.xml 
Resolves #363
 2016-08-30 20:31:31 -04:00
Ray Speth
abf71c4cb1 Allow non-positive atomic weights for custom elements 2016-08-30 20:28:35 -04:00
Ray Speth
f0cdb6df8c [Doc] Fix typo in custom element declaration 2016-08-30 14:46:37 -04:00
Ray Speth
fe747f34c0 [ck2cti] Provide better error message for reactions with missing data 
For falloff / chemically activated reactions (with "(+M)" appearing in the
reaction equation), check that the alternate rate expression has been
provided. Previously, this would only generate an inscrutable error when
importing the XML file.
 2016-08-29 23:34:04 -04:00
Ray Speth
bd53bbd742 [ck2cti] Clear current thermo entry after finding skipped species 
This fixes error messages generated regarding bad thermo entries to exclude
preceding skipped (but valid) thermo entries.
 2016-08-29 22:48:53 -04:00
Ray Speth
fdd1c06470 [Doc] Add directions for installing using conda 2016-08-28 23:39:14 -04:00
Ray Speth
0bd88927f5 [Equil] Fix ElemRearrange when unused elements are present 
The solver could get stuck in an infinite loop when there were elements that
were not used in any species.
 2016-08-17 21:15:34 -04:00
Bryan W. Weber
5435af2d9e
Fix configuration Fortran environment 
SCons was using gfortran to build and ifort to link
when ifort was specified in cantera.conf. This ensures
the check function has the correct Fortran in the
environment to compile the test.
 2016-08-15 21:40:24 -04:00
Bryan W. Weber
8ada40f0be
[Matlab] Add interface to setChemistry 2016-08-12 11:53:53 -04:00
Bryan W. Weber
0e835e4aa2
[Cython/Test] Add Python test for chemistry_enabled 2016-08-12 10:54:59 -04:00
Bryan W. Weber
108b42361f
[Cython] Add interface to new chemistry state methods 2016-08-12 10:54:58 -04:00
Bryan W. Weber
c344b4c0f8
Add methods Reactor::setChemistry and chemistryEnabled 
These functions mirror the setEnergy and energyEnabled methods.
The enableChemistry and disableChemistry methods are deprecated.
 2016-08-12 10:54:58 -04:00
Bryan W. Weber
fea1a36294
Rename minimal Python interface package 
The name 'Cantera (minimal)' conflicts with PEP 503 because of the
parentheses.
 2016-08-11 19:10:16 -04:00
Ray Speth
2b2f733bd9 Migrate Travis CI linux builds to container-based environment 2016-08-02 22:37:03 -04:00
Ray Speth
13c8ba6ed0 Update Travis CI config to also build on OS X 2016-08-02 22:36:15 -04:00
Ray Speth
ee7c4ed463 [Kinetics] Remove dead code from InterfaceKinetics 2016-07-30 23:49:38 -04:00
Ray Speth
4582e724ee Eliminate compiler warnings issued by Visual Studio 2015 2016-07-30 23:09:17 -04:00
Ray Speth
92ae2bdfba [Test] Remove unused diamondSurf_dupl test 2016-07-29 18:57:29 -04:00
Ray Speth
ac7a9bd238 Deprecate copy constructors for eventually-noncopyable objects 
The following classes (and their children) will be non-copyable and
non-assignable after Cantera 2.3:
  - ThermoPhase
  - Kinetics
  - Transport
  - Species
  - SpeciesThermoInterpType
  - MultiSpeciesThermo
  - VPSSMgr
  - PDSS
  - ResidJacEval
  - RootFind
 2016-07-29 18:57:29 -04:00
Ray Speth
64983aaf16 Remove some unnecessary copy constructors and assignment operators 
The implicitly-defined copy constructors and assignment operators work fine for
these classes.
 2016-07-29 18:39:45 -04:00
Ray Speth
fe15a4fe9c [Base] Make Application::Messages non-copyable 2016-07-29 15:05:52 -04:00
Ray Speth
e851e5e9d8 [Kinetics] Fix initialization of use_motz_wise_correction 2016-07-29 15:05:52 -04:00
Ray Speth
af3de9aa4d [Numerics] Fix BandMatrix assignment operator 2016-07-29 15:05:52 -04:00
Ray Speth
e70e5bf5be [SCons] Fix default Python module installation path on Debian/Ubuntu 
If Cantera is being installed to /usr/local, then on Debian-based distros, we
want the Python module to end up in /usr/local/lib/pythonX.Y/dist-packages,
which is actually the default behavior. However, /usr/local/... is *not* the
default installation prefix for Python modules on some other distros (On Fedora,
at least, it's /usr/) so using the default needs to be conditioned on the actual
distro.
 2016-07-29 14:52:42 -04:00
Ray Speth
dac5345b56 [Base] Move CANTERA_DATA environment variable up in search path 
The paths added from the CANTERA_DATA environment variable should be searched
before hard-coded paths which are determined based on the installation location.
 2016-07-29 11:30:56 -04:00
Ray Speth
f733fac104 [Kinetics] Deprecate InterfaceKinetics::checkPartialEquil 2016-07-28 22:38:05 -04:00
Ray Speth
a8bf1aa628 [Kinetics] Remove unused members of InterfaceKinetics 2016-07-28 22:38:05 -04:00
Ray Speth
7f121a9270 [Reactor] Use setCoveragesNoNorm when evaluating ReactorSurface 2016-07-28 22:38:05 -04:00
Ray Speth
e90dbcb27e Remove unnecessary reaction from ptcombust.cti 
The current methods for handling negative species do not have the problem
described.
 2016-07-28 22:38:05 -04:00
Ray Speth
fd9d60f1ec [ck2cti] Add support for MWON and MWOFF keywords 2016-07-28 18:40:10 -04:00
Ray Speth
1e5eb8c871 [Kinetics] Add option for Motz & Wise correction to sticking reactions 2016-07-28 18:38:40 -04:00
Ray Speth
593ab8a573 [Kinetics] Refactor handling of sticking reactions 2016-07-28 11:52:46 -04:00
Ray Speth
cc2725ca37 Bump version to 2.3.0a3 2016-07-27 19:00:02 -04:00
Santosh Shanbhogue
036eeb1678 [Python/Examples] Added option to plot results for premixed twin flame 2016-07-27 17:02:02 -04:00
Santosh Shanbhogue
1dc7071ba6 [Python/Examples] Updated premixed counterflow twin flame example 
Corrected method of calculating strain-rate, and added functionality to compute
consumption speed
 2016-07-27 17:02:02 -04:00
Ray Speth
791c9d1599 [Test] Relax tolerance on Polyfit.exact_fit test 
Done to avoid spurious test failures on some platforms.
 2016-07-25 16:13:59 -04:00
Ray Speth
5ec525d516 [Python/Test] Fix spurious test failures caused by assertAlmostEqual 2016-07-25 16:11:26 -04:00
Ray Speth
6b588c5140 [Python/1D] Fix default transport model selection 
Broken in bd8a5d0, since the base Transport class no longer returns a false
value for the transport_model property.
 2016-07-25 15:35:25 -04:00
Ray Speth
3b522dcfb0 [Python/1D] Print exception messages after failed auto-solve attempts 
This helps with debugging cases where the solver fails, especially, if the
failures are not convergence-related and cannot be resolved by successive
attempts at solving the problem.
 2016-07-25 15:33:07 -04:00
Ray Speth
feca44aa2d [SCons] Install to lib64 directory on operating systems that use this 
Resolves #318.
 2016-07-25 14:42:46 -04:00
Ray Speth
908e620325 [SCons] Generate versioned shared objects for cantera_shared.so 
See #318.
 2016-07-25 14:42:45 -04:00
Ray Speth
9b318f3c90 [SCons] Always link cantera_shared to its dependencies 
This is not strictly required on Linux, but it doesn't hurt.

See #318.
 2016-07-25 14:42:45 -04:00