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Author SHA1 Message Date
Ray Speth
0a1257daed Stream input to ctml_writer to avoid command line length limits 
Resolves #416.
 2017-02-13 19:37:24 -05:00
Ray Speth
b39537bfcb [Thermo] Merge functionality of VPSSMgr into VPStandardStateTP 
Remove the now-unused VPSSMgr class and descendants.
 2017-02-13 13:25:46 -05:00
Ray Speth
50ed3f2e72 [Thermo] PDSS objects store their own data 2017-02-13 13:25:46 -05:00
Ray Speth
7b529ac2d6 [Thermo] Fix error in PDSS_Water reference state calculations 
The water property calculator needs to be given the correct phase guess,
otherwise it will return in an invalid state.
 2017-02-13 13:25:46 -05:00
Ray Speth
38d291c683 [Thermo] Fix reference pressure assumptions in VPSSMgr classes 
The reference pressure (p0) must be species-specific, since for certain PDSS
classes (e.g. PDSS_Water) p0 is a function of temperature, while for other
classes (PDSS_ConstVol) it is a constant.

VPSSMgr_Water_ConstVol further assumed that the reference pressure for all
species was 1 atm, ignoring the setting in the PDSS object. Fixing this changed
test results for HMW_test_1 and HMW_test_3.

Added a test that specifically compares VPSSMgr_Water_ConstVol with
VPSSMgr_General.
 2017-02-13 13:25:46 -05:00
Ray Speth
0249ce89b8 [Test] Add tests for 'OneWayFlow' and 'scale' reaction path options 2017-02-12 22:32:39 -05:00
Ray Speth
092e00744b [Kinetics] Add test that reaction path fluxes are correct 2017-02-12 22:32:39 -05:00
Ray Speth
5a0fb579a8 [Kinetics] Prevent double counting in reaction path diagrams 
This fixes the double counting that occurs in reactions like:

    H + HO2 => 2 OH

Fixes #377
 2017-02-12 22:32:39 -05:00
Ray Speth
3093e6e6d4 [Kinetics] Restore old handling of repeated species in path diagrams 
Fixes an error introduced in 37f71bd9 which caused these reactions to be
ignored. However, flux calculations for reactions such as H + HO2 -> 2 OH are
still incorrect.
 2017-02-12 22:32:39 -05:00
Ray Speth
0d982c8f58 Fix use of 'scale' and 'OneWayFlow' options in ReactionPathDiagram 
Fixes #378
 2017-02-12 22:32:39 -05:00
Ray Speth
7673f7cb52 Remove code deprecated in Cantera 2.3.0 2017-02-12 19:22:33 -05:00
Ray Speth
66998a5ae1 [SCons] Keep SCons initial PATH when propagating PATH 
Fixes errors on Windows when Visual Studio is not on the PATH but has been
found by SCons instead.
 2017-02-12 17:39:13 -05:00
Ray Speth
eae9250f2e [SCons] Print propagated environment variables in 'verbose' mode 2017-02-11 16:39:00 -05:00
Ray Speth
3c82c3a6c6 [SCons] Propagate PATH environment variable by default 2017-02-11 16:36:44 -05:00
Ray Speth
e5edc319de [SCons] Fix propagation of user-specified environment variables 
The listify function no splits on commas
 2017-02-11 16:35:07 -05:00
Ray Speth
19c17d149b [Thermo] Allow instantiation of RedlichKwongMFTP without XML 
This also adds the first test which instantiates a RedlichKwongMFTP object, and
removes some unused member variables and private methods from the class.
 2017-02-05 15:51:24 -05:00
Ray Speth
507a3a9985 [Thermo] Allow instantiation of WaterSSTP without XML 2017-02-03 23:46:03 -05:00
Ray Speth
86dca05369 [Thermo] Make PureFluidPhase configurable without XML 
The 'setSubstance' method allows setting the equation of state to use, which
could only be done before using the 'setParametersFromXML' method.
 2017-02-03 21:56:29 -05:00
Ray Speth
62c67e4ad1 [TPX] Add factory function for Substance from species name 
This function had been defined but not declared.
 2017-02-03 21:53:50 -05:00
Ray Speth
ed8de04e5b [Python] Fix setting mass/mole fractions for single-species phases 2017-01-31 17:41:50 -05:00
Ray Speth
6a52908d85 [Python/1D] Make current solution residuals accessible 2017-01-31 16:58:24 -05:00
Ray Speth
78d5809d6f [Samples] Add C++ OpenMP example 2017-01-28 15:07:15 -05:00
Ray Speth
3f6f580b25 Fix issues parsing some composition strings 
The parser was having issues in cases where there was both a space following the
colon and a comma following the value.
 2017-01-28 00:04:36 -05:00
Ray Speth
5fcbfde40e Make error message from newSpeciesThermoInterpType more informative 2017-01-27 18:17:22 -05:00
Ray Speth
2678b57d58 [Doc] Update docstring for Kinetics::checkDuplicates 2017-01-27 18:17:22 -05:00
Bryan W. Weber
c982f50421
[Matlab/Doc] Fix docs for enthalpies_RT function 2017-01-25 07:41:43 -05:00
Ray Speth
0fd2f7c4d0 [Kinetics] Check for unmatched duplicate reactions 
Reactions which are marked as duplicates but have no matching reactions are
considered errors.

Fixes #389
 2017-01-23 14:34:18 -05:00
Ray Speth
7979a2b52a Add Matlab function for checking git commit 2017-01-23 14:33:31 -05:00
Ray Speth
8e89bbb8d2 Add methods for accessing the git commit used when compiling 2017-01-20 22:43:56 -05:00
Ray Speth
17c1f9dc14 [SCons] Make definition of CANTERA_DATA local to application.cpp 2017-01-20 17:58:40 -05:00
Ray Speth
ac5337130a [Kinetics] Validate balance of surface sites for interface reactions 
The number of surface sites should be the same for the reactants and products.

Fixes #412
 2017-01-20 17:40:34 -05:00
Ray Speth
886d7b7cdc Move MixMaster into a separate Python module and Git repository 
MixMaster has been moved to https://github.com/Cantera/mixmaster
 2017-01-20 16:16:32 -05:00
Ray Speth
26651cc72c Bump development version to 2.4.0a1 2017-01-20 16:16:32 -05:00
Ray Speth
0281d14e39 [Doc] Update paths to compilation instructions in INSTALL 2017-01-19 21:11:14 -05:00
Ray Speth
d2aeb8fa28 [Doc] Note availability of Windows binaries for Python 3.6 2017-01-19 21:05:02 -05:00
Ray Speth
8329edf45f [Doc] Update versions of Ubuntu for which Cantera is packaged 
We can no longer build on stock 14.04 due to the requirement for Cython >= 0.23.
 2017-01-12 22:28:53 -05:00
Ray Speth
4b974219b5 [SCons] Fix installation location for Debian Python packages 2017-01-12 20:23:58 -05:00
Ray Speth
6546c08f29 Bump version and copyright year for 2.3.0 release 2017-01-12 14:00:35 -05:00
Ray Speth
2c38d26407 [Doc] Remove references to old Google Code mirror 2017-01-12 13:43:39 -05:00
Bryan W. Weber
4beaa1b19b [Doc] Clarify lapack_ftn_string_len_at_end docs 2017-01-12 13:43:39 -05:00
Bryan W. Weber
24f166ede6 [Doc] Add link to numpy.org 2017-01-12 13:43:39 -05:00
Bryan W. Weber
0098b17f93 [Doc] Sundials -> SUNDIALS 2017-01-12 13:43:39 -05:00
Bryan W. Weber
7b0305f81e [Doc] Mention TDM-GCC and discourage regular MinGW 2017-01-12 13:43:39 -05:00
Bryan W. Weber
81f9daf1e7 [Doc] Update Xcode version 2017-01-12 13:43:39 -05:00
Bryan W. Weber
cfe2455cda [Doc] Move compiling docs and split into files 2017-01-12 13:43:39 -05:00
Bryan W. Weber
d735cf0017 Switch MATLAB tests to use Solution 
Instead of deprecated importPhase
 2017-01-12 13:43:39 -05:00
Bryan W. Weber
74a583a6d0 Add TOC to the compiling docs 2017-01-12 13:43:39 -05:00
Bryan W. Weber
608f457614 [Doc] Add Build Commands section 2017-01-12 13:43:39 -05:00
Bryan W. Weber
25db36e8cd [Doc] Rewrite and reformat configuration options section 2017-01-12 13:43:39 -05:00
Bryan W. Weber
32046f9037 [Doc] Fix various small typos in compiling docs 2017-01-12 13:43:39 -05:00