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Author SHA1 Message Date
Ray Speth
0b5e209b40 [Kinetics] Remove unused private members of class Kinetics 2016-10-13 18:40:03 -04:00
Ray Speth
f17750e483 Make species names case-preserving instead of case-sensitive 
This improves interoperability when working with mechanisms which use differing
conventions for naming species using uppercase or lowercase.
 2016-10-13 18:40:03 -04:00
Ray Speth
deee889baf [clib] Make clib headers public 2016-10-13 18:40:03 -04:00
Ray Speth
5d7c8f393b [CTML] Remove unnecessary 'global' declarations 2016-10-13 18:40:03 -04:00
Ray Speth
ae6e7fdff7 Add license/copyright info to files that were missing it 2016-10-10 22:48:23 -04:00
Ray Speth
ecbfecd7fd Replace existing copyright notices with uniform copyright/license info 2016-10-10 22:19:01 -04:00
Ray Speth
822e03e938 Update copyright statement in License.txt 2016-10-10 21:20:53 -04:00
Ray Speth
a4be32474e Add institutional affiliations to AUTHORS 2016-10-10 21:18:54 -04:00
Ray Speth
cc0e19a7a7 Add header to AUTHORS and merge authors & contributors 2016-10-10 21:18:54 -04:00
Ray Speth
c0d007ab1d Fix Travis build on OS X 
Installing SCons using pip has stopped working. Installing using Homebrew works
fine.
 2016-10-10 00:32:48 -04:00
Ray Speth
9c368d57b3 [Cython] translate_exception should raise RuntimeError 
This is more consistent with the behavior of Cython for other exception types,
where unknown types of std::exception are translated to Python RuntimeError
exceptions.
 2016-10-09 17:58:44 -04:00
Bryan W. Weber
9bba45b01e Fix minor docs typo in Matlab enthalpy_mole 2016-10-04 11:34:04 -04:00
Ray Speth
8a86fed0ca [Python] Move composite classes out of Cython 
This makes it easier to add more features to these composite classes without
increasing the size of the compiled Cython extension.
 2016-09-19 18:57:19 -04:00
Ray Speth
e332fcbba2 [clib] Make clib actually usable as a C (not C++) interface 
- Cannot include any C++ headers or use C++ types (e.g. 'bool')
- Functions arguments cannot have default values
- "extern C" needs to be wrapped by "#ifdef __cplusplus"
 2016-09-19 18:48:40 -04:00
Ray Speth
09629e27ee Rewrite README.rst 2016-09-11 00:08:05 -04:00
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