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338 commits

Author SHA1 Message Date
Ray Speth
2589a27b6c Use range-based for and auto to simplify some loops 2015-10-14 18:45:23 -04:00
Ray Speth
0b2c7b59b8 Replace printf with writelogf in all library code 2015-10-14 18:45:23 -04:00
Ray Speth
bfb20e1f50 Consistently use vector_fp and vector_int typedefs 2015-08-02 23:06:16 -04:00
Ray Speth
ceefc5ecb0 Consistently use ThermoPhase::RT() 2015-08-02 23:06:16 -04:00
Ray Speth
acdf9cf0ed Clean up interstitial whitespace 
Remove extra space around operators, between words, etc.
 2015-08-02 23:06:16 -04:00
Ray Speth
6a04193646 Fix un-bracketed if, for, and else statements 2015-08-02 23:06:15 -04:00
Ray Speth
801334c84e Merge nested if statements 2015-08-02 23:06:15 -04:00
Ray Speth
e4c45b6429 General whitespace cleanup 
Remove unnecessary blank lines and trailing whitespace. Replace tabs with
spaces.
 2015-08-02 23:06:15 -04:00
Ray Speth
619cd20f14 Fix badly-formatted else/else if/catch clauses 2015-08-02 23:06:15 -04:00
Ray Speth
c3c80f79fb Remove extraneous parentheses 2015-08-02 23:06:14 -04:00
Ray Speth
6cc5652de6 Remove commented-out code 2015-07-20 17:20:46 -04:00
Ray Speth
bf2ceed60e Remove some leftover debugging ifdefs 2015-07-20 15:47:17 -04:00
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
f1f10b6526 Remove unused, deprecated code marked for removal after Cantera 2.2 2015-07-15 12:08:50 -04:00
Ray Speth
546289f737 Remove deprecated code with functional alternatives 2015-07-13 18:59:09 -04:00
Ray Speth
d373e0751e Remove unnecessary explicit specification of namespace Cantera 2015-06-24 14:45:55 -04:00
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
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
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
Ray Speth
7a21855574 [Kinetics] Switch parameter order in ChebyshevRate constructor 
The usual order of arguments is temperature then pressure.
 2015-04-30 22:34:25 -04:00
Ray Speth
2fff28f37c [Kinetics] Fix Plog::rates to suppress all artificial rates 2015-04-30 19:24:16 -04:00
Ray Speth
6648b9ec34 [Kinetics] Falloff initialization checks for correct number of parameters 2015-04-29 22:12:00 -04:00
Ray Speth
23642ded3c [Kinetics] Use current site density sticking reaction rate coefficient 
The conversion of sticking coefficients to Arrhenius expressions includes the
site density on the surface phase, which may not be set when the reaction is
being added to the Kinetics object. We now defer the calculation of this
dependency until the rate coefficient is being evaluated so that the current
value for the site density can be used.
 2015-04-29 11:55:07 -04:00
Ray Speth
c994917bae [Kinetics] Add functions for creating Reaction objects from CTI/XML 2015-04-28 17:13:11 -04:00
Ray Speth
eb088793e6 [Kinetics] Fix indices used in calculating coverage-dependent rates 
The coverage dependent rate calculation is passed the array of coverages,
which include only the interface species, so the species index in the
interface phase is what is needed here.
 2015-04-26 11:42:21 -04:00
Ray Speth
550caaca9e [Kinetics] Fix setupInterfaceReaction to parse coverage dependencies 2015-04-26 11:41:01 -04:00
Ray Speth
a9c6eb6fda [Kinetics] Add methods for inspecting ChebyshevRate objects 2015-04-24 18:53:02 -04:00
Ray Speth
d3d303c4e9 [Kinetics] Add Plog::rates() for informational purposes 2015-04-24 16:43:37 -04:00
Ray Speth
4151c10884 [Kinetics] Simplify Plog by using Arrhenius objects internally 2015-04-24 14:49:42 -04:00
Ray Speth
d2418c0c2a [Kinetics] Add methods for inspecting Falloff objects 2015-04-23 18:10:15 -04:00
Ray Speth
9d4a3e0f75 [Kinetics] Reaction objects have Falloff objects 
This approach actually makes use of the fact that we have a Falloff type.
 2015-04-23 18:10:15 -04:00
Ray Speth
873724c135 [Kinetics] Move member function definitions out of Falloff.h 2015-04-23 18:10:15 -04:00
Ray Speth
bbe2e1c79b [Python] Add access to properties of simple reaction types 
This includes ElementaryReaction and ThirdBodyReaction
 2015-04-23 18:10:15 -04:00
Ray Speth
3ad02817c5 [Kinetics] Refactor KineticsFactory::newKinetics 
Eliminate redundant implementations, eliminate unnecessary static arrays,
and fix cases which were missing in the newKinetics(string) version.
 2015-04-22 14:08:24 -04:00
Ray Speth
ec1d7d7382 Fix compilier warnings about unused variables 2015-04-14 16:08:10 -04:00