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1174 commits

Author SHA1 Message Date
Ray Speth
8b64b6f4f7 [Matlab] Fix printing of error messages 2016-01-29 15:38:13 -05:00
Bryan W. Weber
02f0e273d9 Add a note about the state setters to PureFluidPhase 2016-01-25 13:14:50 -05:00
Bryan W. Weber
bff8d10609 [Matlab] Add interface to the new PureFluid property pairs 2016-01-25 13:14:50 -05:00
Bryan W. Weber
c1f287d648 [C API] Add interface to the new PureFluid property pairs 2016-01-25 13:14:50 -05:00
Bryan W. Weber
50a97063b7 Reduce relative tolerance of state setter in Substance 
Reduce the relative tolerance from 3.e-8 to 1.e-8.
 2016-01-25 13:07:34 -05:00
Bryan W. Weber
63cfed1503 Add functions to set property pairs specified in Sub.cpp 
Add functions to set the unimplemented property pairs specified
in the Substance::Set function of Sub.cpp
 2016-01-25 13:07:34 -05:00
Bryan W. Weber
31316b7079 Switch PureFluidPhase to use double instead of doublereal 2016-01-25 13:07:34 -05:00
Ray Speth
9276f56008 Use full string (minus white space) when matching element names/symbols 
Also make check for element names case-insensitive.
 2016-01-22 18:18:43 -05:00
Bryan W. Weber
c324386fb2 Add functions to get more information about elements. 
Add functions to get the atomic number, name, symbol, and weight
of elements looked up by the atomic number, name, or symbol.
 2016-01-22 18:18:43 -05:00
Bryan W. Weber
f3bc7a5d5b Replace LookupWtElements with getElementWeight function 
Deprecate LookupWtElements. Also split the atomic weights
database into one for named elements and for named isotopes.
 2016-01-22 18:18:42 -05:00
Ray Speth
1c09f7f14b [Thermo] Make continuity check for enthalpy dimensionally consistent 
All quantities here are nondimensional, so taking h+cp*T makes no sense, and
caused the test to pass even for suspicously discontinuous thermo data (although
the bad data would generally get flagged by the tests for cp and/or s).
 2015-12-15 11:41:54 -05:00
Ray Speth
4887775109 Eliminate unnecessary counter member variables 2015-12-01 15:54:55 -05:00
Ray Speth
2dfa43ffa7 Fix indexing error in ImplicitSurfChem::eval 
This method was not working in the case where there was more than one surface
phase, since 'loc' was always set to zero.
 2015-11-24 13:31:45 -05:00
Ray Speth
1cc0d42988 [Test] Move tests for WaterPropsIAPWSphi to gtest suite 
Remove test-related functions from the implementation.
 2015-11-24 10:59:14 -05:00
Ray Speth
7562d79bad Remove unnecessary calls to ostream.close() 2015-11-23 18:06:54 -05:00
Trevor Hickey
b751087859 Removes uneeded .close() calls 
These calls are not needed. ofstream's destructor will close the file.

Resolves #298.
 2015-11-23 18:03:01 -05:00
Ray Speth
b4a1fb2db1 [SCons/Numerics] Use ext/sundials if system Sundials not installed 2015-11-23 16:53:20 -05:00
Ray Speth
bab07860e3 [Transport] Fix segfault when species transport data is missing 
Resolves #312.
 2015-11-23 10:56:02 -05:00
Ray Speth
e58bd09859 Eliminate debug_verbose option and DEBUG_MODE macro 
Vebose printing can always be enabled at runtime by setting flags on various
classes.
 2015-11-18 11:02:30 -05:00
Ray Speth
ee95c60813 Simplify error handling to eliminate need for global error stack 
All of the functions for manipulating the global error stack
(CanteraError::save, setError, showErrors, etc.) are deprecated. The ability to
store an error is retained only for use in the C and Fortran interfaces so that
the last error message can be retrieved after a function returns an error code.
 2015-11-16 19:50:55 -05:00
Ray Speth
eb8695dffa Remove unnecessary overrides of cv_mole 2015-11-15 17:00:46 -05:00
Ray Speth
8a5bad1e70 Eliminate lowercase 'l' as a variable name 2015-11-13 21:38:43 -05:00
Ray Speth
f5ff849b47 Replace std::copy with simpler direct assignment where possible 2015-11-12 17:35:30 -05:00
Ray Speth
69eeb20283 Remove duplicate check for thermo node 2015-11-12 15:50:31 -05:00
Ray Speth
5e69a9949a Use ThermoPhase::RT() where convenient 2015-11-12 15:36:17 -05:00
Ray Speth
0d0c96257b [Thermo] Remove unnecessary override of getChemPotentials_RT 2015-11-12 15:15:48 -05:00
Ray Speth
f6d19ccd59 [Thermo] Remove unnecessary overrides of VPStandardStateTP methods 
setPressure, setTemperature, and setState_TP are all implemented generally in
VPStandardStateTP. The specialization in child classes is always handled in
calcDensity().
 2015-11-12 15:04:45 -05:00
Ray Speth
a9379e6f71 [Thermo] Remove unimplemented versions of setToEquilState 2015-11-12 12:42:46 -05:00
Ray Speth
ac9dfa055c [Thermo] Synchronize Mixture/Multiphase state before printing report 
Do not assume that the states of the individual ThermoPhase objects still
correspond to the state of the mixture object. See #306.
 2015-11-12 12:42:35 -05:00
Ray Speth
66a3b5b48a Remove unnecessary and bogus 'inline' declarations 2015-11-12 12:22:09 -05:00
Ray Speth
94185c7fbd Miscellaneous Doxygen doc and comment cleanup 2015-11-12 12:22:09 -05:00
Ray Speth
0540cf26d0 Clean up Doxygen docs and comments in Reactor classes 2015-11-12 11:41:34 -05:00
Ray Speth
34ff39e3df Clean up Doxygen docs and comments in OneD classes 2015-11-12 11:41:34 -05:00
Ray Speth
75d9ef93c5 Clean up Doxygen docs and comments for numerics classes 2015-11-12 11:41:34 -05:00
Ray Speth
0c8bf1fd08 Clean up Doxygen docs and comments for Transport classes 2015-11-12 11:41:34 -05:00
Ray Speth
fe4035647f Clean up remaining Thermo comments 2015-11-12 11:41:34 -05:00
Ray Speth
f8b12adef4 Clean up comments in 'base' source and header files 2015-11-09 19:35:52 -05:00
Ray Speth
cd1f1fd5ac [Doc] Clean up Doxygen documentation for ThermoPhase classes 
Remove redundant documentation from overloaded methods which does not add any
additional information.

Reformat to to make indentation and line lengths more consistent.
 2015-11-09 17:59:22 -05:00
Ray Speth
75b0c71044 Clean up comments in Kinetics 2015-11-09 17:59:22 -05:00
Ray Speth
5bf3b0fc67 Clean up comments in other equilibrium-related classes 2015-11-09 17:59:22 -05:00
Ray Speth
618c485c55 Clean up comments in VCS equilibrium solver 2015-11-09 17:34:46 -05:00
Ray Speth
4382ae6c85 Clean up comments in Thermo class source files 2015-11-09 17:34:46 -05:00
Steven DeCaluwe
14864e840b Extend NoNorm option for setCoverages to the Matlab toolbox 
Because normalizing the species coverages leads to incorrect Jacobian
calculations, it is sometimes necessary to not normalize the coverages.
As for bulk species mass/mole fractions, this option is currently only
available when passing the coverages as a vector (i.e., not available
for string identifiers).
 2015-11-07 21:14:03 -05:00
Ray Speth
70fe821c19 Deprecate FuncEval::getInitialConditions and related functions 2015-11-06 14:40:48 -05:00
Thomas Fiala
16ab7dff51 [Reactor] Implement functions getState for reactors and reactor networks 
These are simpler forms of getInitialConditions.
 2015-11-03 14:34:28 -05:00
imitrichev
f7a0e14f3e Remove unused field m_logA from class SurfaceArrhenius 2015-10-25 15:41:59 -04:00
imitrichev
40e09043bc Added methods to InterfaceKinetics to get effective rate parameters 
Effective rate parameters are used in SurfaceArrhenius reactions.

Resolves #297.
 2015-10-25 15:41:31 -04:00
Ray Speth
87aaa6ad1e Use math functions from C++11 standard library 2015-10-19 13:14:40 -04:00
Ray Speth
0542e694a9 [Thermo] Merge classes StoichSubstance and StoichSubstanceSSTP 
Use the implementation of StoichSubstanceSSTP (descended from
SingleSpeciesTP) but change the name to StoichSubstance.
 2015-10-19 00:17:40 -04:00
Ray Speth
90b0ee152b Fix compilation with GCC 4.6 and 4.7 
The standard libraries for these versions of GCC do not have 'emplace'
methods for associative containers.
 2015-10-17 18:58:50 -04:00