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1613 commits

Author SHA1 Message Date
Ray Speth
c49c969184 [Kinetics] Remove unused code for reactant and product "groups" 2015-07-20 14:04:53 -04:00
Ray Speth
4f1250ef53 [Kinetics] Remove unneeded variables for reaction equation 
Extract this data from the reaction objects directly as needed.
 2015-07-20 13:53:47 -04:00
Ray Speth
62f2af5534 [Kinetics] Eliminate unnecessary variable m_rxntype 2015-07-20 13:01:05 -04:00
Ray Speth
f623e44d32 [Kinetics] Eliminate unnecessary m_rrxn and m_prxn variables 
This information can be extracted from the Reaction objects as-needed.
 2015-07-20 12:56:56 -04:00
Ray Speth
761f54f241 Eliminate unnecessary counter variable Kinetics::m_ii 2015-07-16 15:37:41 -04:00
Ray Speth
e21a7ce7d7 Fix incorrect index check in GeneralSpeciesThermo::reportParams 
The SpeciesThermoInterpType no longer knows the species index, so
it isn't actually returned by the reportParameters function.
 2015-07-16 12:28:46 -04:00
Ray Speth
c08c365ebb Remove unimplemented option to use QR factorization in BandMatrix 2015-07-16 10:52:42 -04:00
Ray Speth
e8292d387e Fix definition of elemental mole fraction 
The elemental mole fractions should be invariant under composition changes which
conserve atoms.
 2015-07-16 10:41:39 -04:00
Ray Speth
97b32069cf Remove leftover "fenv" cruft 2015-07-15 12:46:48 -04:00
Ray Speth
6a9dd7f9d6 Remove unused 'csvdiff' application 2015-07-15 12:20:22 -04:00
Ray Speth
f1f10b6526 Remove unused, deprecated code marked for removal after Cantera 2.2 2015-07-15 12:08:50 -04:00
Ray Speth
ad4ed9e065 Remove unnecessary printing from SurfPhase::setCoverages 2015-07-15 11:40:13 -04:00
Ray Speth
d4299fc6da [Test] Fix VCS-LiSi test to not use deprecated "testProb" constructor 2015-07-15 11:35:22 -04:00
Ray Speth
546289f737 Remove deprecated code with functional alternatives 2015-07-13 18:59:09 -04:00
Ray Speth
9e8b8e4f63 Fix incorrect references to SpeciesThermo from VPSSMgr 2015-07-13 18:48:56 -04:00
Ray Speth
d373e0751e Remove unnecessary explicit specification of namespace Cantera 2015-06-24 14:45:55 -04:00
Ray Speth
140da430c0 Check for non-existent species in setMass/MoleFractionsByName 2015-06-24 13:05:28 -04:00
Ray Speth
c4bb938b1b [Equil] Hide verbose output at default log level 2015-06-24 13:05:28 -04:00
Ray Speth
0590b2cda8 [Reactor] Deprecate possibly-ambiguous names in componentIndex 
Resolves #274.
 2015-06-22 18:12:05 -04:00
Ray Speth
6f7241b08b Remove dead code from class Application 2015-06-21 19:01:15 -04:00
Ray Speth
be24e9daf1 [Reactor] Move reactor contents check into ReactorBase::contents 
The check introduced in f6f868fe28 takes place too late, as the pointer to
ReactorBase.m_thermo has already been dereferenced at this point. Most compilers
let this pass, but it is techincally incorrect.
 2015-06-18 17:51:46 -04:00
Ray Speth
f6f868fe28 [Reactor] Check for Reactor contents before installing FlowDevice 
Fixes #279.
 2015-06-18 14:37:54 -04:00
Bryan W. Weber
60827267b7 Add MATLAB interface to the setState_RP function 2015-06-15 17:47:37 -04:00
Bryan W. Weber
5d215b7e86 Add base class functions to set density and pressure simultaneously 
They have the names setState_RP, setState_RPX, and setState_RPY. These
base class functions mirror the TP, TPX, TPY set, except that RP is not
implemented, because it depends on the EOS of the system. We cannot use
the normal setPressure because it sets the state by calculating the
density, but RP will specify the density.
 2015-06-15 17:46:51 -04:00
Ray Speth
484eff996b Use short form of cantera_version when looking for data directory 2015-06-14 19:51:00 -04:00
Ray Speth
7f847c3877 [SCons] Miscellaneous cleanup of SConstruct/SConscript files 2015-06-13 23:29:58 -04:00
Ray Speth
31d04f04b0 [Thermo] Remove unnecessary copy constructors & assignment operators 
These just did the same thing as the compiler-generated ones, so there's
no reason for these to exist.
 2015-06-13 22:41:37 -04:00
Ray Speth
8d4e9bff6e [Reactor] Make argument to ReactorNet.step optional and deprecated 
The value of this argument has almost no effect on the integrator, and
frequently confuses users since the ReactorNet can end up at a time either
greater or less than the specified time. By removing this argument, the
distinction betwen step() and advance(t) becomes much more clear.
 2015-06-11 14:03:20 -04:00
Ray Speth
392b0f5692 [Reactor] Do not use argument to step/advance to set the max time step 
Allow CVODES to take arbitrarily large timesteps by default. If a maximum time
step is desired, it can be set explicitly.
 2015-06-11 14:03:20 -04:00
Steven DeCaluwe
7426fca71a Adding RedlichKwongMFTP::cv_mole 2015-06-09 13:01:57 -06:00
Ray Speth
217d780233 Fix calls to CanteraError with blank or incorrect first argument 
The first argument should be the function name from which the exception was
thrown. Leaving this blank makes it difficult to track down the location of the
exception.
 2015-06-09 12:03:57 -04:00
Ray Speth
8dcde36d20 Fix invalid iterator usage in Application::close_XML_File 
The iterator 'b' is invalidated by calling erase(b), which means that the
subsequent call to ++b results in undefined behavior. This was identified by
segfaults in the Matlab unit test on OS X.
 2015-06-08 17:20:54 -04:00
Ray Speth
911c2f180d Remove unused, redundant 'g_DEBUG_MODE' variable 
This is exactly the same as the DEBUG_MODE_ENABLED macro
 2015-05-29 16:29:57 -04:00
Ray Speth
78f60e2d5f [Thermo] Improve error message generated by Substance::set_xy 2015-05-29 12:45:17 -04:00
Ray Speth
808f088ffd Merge namespace VCSnonideal with namespace Cantera 2015-05-27 18:27:25 -04:00
Ray Speth
5214672ab3 Merge namespace ctml with namespace Cantera 2015-05-27 18:09:07 -04:00
Ray Speth
1c878c16de Fix issues indicated by compiler warnings 2015-05-26 11:42:20 -04:00
Ray Speth
341b137766 [Doc] Capitalize proper nouns and acronyms 2015-05-25 20:58:44 -04:00
Ray Speth
51c8d7365a [Doc] Fix spelling errors 2015-05-25 20:57:19 -04:00
Ray Speth
aa2b732954 Fix directories searched for input files on Windows 
Update to use the registry key for Cantera 2.2. The 'templates'
subdirectory no longer exists.

Fix documentation to not incorrectly claim that COMMONPROGRAMFILES
will be searched for input files.
 2015-05-24 18:23:24 -04:00
Ray Speth
b84c1e5685 Remove unused fields of ElectroChemicalReaction 2015-05-24 18:23:23 -04:00
Ray Speth
eb74329d1b Deprecate some unused/unfinished classes 2015-05-24 18:23:22 -04:00
Ray Speth
b5b1e89814 [Kinetics] Move 'rmcVector' down to ElectrodeKinetics 2015-05-23 22:42:44 -04:00
Ray Speth
813cc36f8e Fix undefined variables in ElectrodeKinetics with DEBUG_MODE enabled 2015-05-23 22:33:21 -04:00
Ray Speth
ba9c9c768f [Kinetics] Use the name 'ThreeBodyReaction' consistently 2015-05-11 16:35:46 -04:00
Ray Speth
9e9f03288a [Kinetics] Implement modifyReaction for InterfaceKinetics 2015-05-08 11:07:41 -04:00
Ray Speth
35e5e93c6e [Kinetics] Implement modifyReaction for AqueousKinetics 2015-05-08 11:07:11 -04:00
Ray Speth
62cd325036 [Kinetics] Implement modifyReaction for gas-phase reactions 2015-05-07 18:31:40 -04:00
Ray Speth
092937fd06 [Kinetics] Fix handling of undeclared third bodies in Falloff reactions 2015-05-06 21:14:59 -04:00
Ray Speth
14b2e8f5cf [Kinetics] Fix 'skip_undeclared_species' behavior 2015-05-06 21:14:58 -04:00