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
8845e789ba
[1D] Deprecate non-functional fix/solve species options
2015-05-27 17:17:08 -04:00
Ray Speth
57e73dcb74
[Doc] Fix some Doxygen warnings
2015-05-26 17:05:40 -04:00
Ray Speth
8e2e4ae60b
Deprecate class RxnOrders
2015-05-26 16:58:18 -04:00
Ray Speth
1c878c16de
Fix issues indicated by compiler warnings
2015-05-26 11:42:20 -04:00
Ray Speth
6a094c658f
[Doc] Update description of CTI and CTML formats
2015-05-25 21:08:49 -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
2610af703f
Remove declared but undefined function 'vcs_second'
2015-05-24 18:23:24 -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
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
cb88a2b1e0
Remove declarations for undefined methods from InterfaceKinetics
2015-05-07 23:09:01 -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
26c0c3f587
[Doc] Update docs for GasTransportData
2015-05-05 11:44:34 -04:00
Ray Speth
18e2ab7c8d
[Python/Doc] Document Reaction and derived classes
2015-05-05 11:34:07 -04:00
Ray Speth
4022e408af
[Doc] Document interface reaction coverage dependencies
...
Specifically, that the activation energy term is given in temperature
units.
2015-05-05 11:00:25 -04:00
Ray Speth
0562f18100
[Reactor] Wall coverages may be set using a compositionMap or string
2015-05-02 20:07:45 -04:00
Ray Speth
522c563810
[Thermo] Surface coverages can be set using a compositionMap
2015-05-02 20:07:44 -04:00
Ray Speth
f4715c671f
[Python] Add method for setting Chebyshev rate coefficient parameters
2015-05-02 20:07:36 -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
6648b9ec34
[Kinetics] Falloff initialization checks for correct number of parameters
2015-04-29 22:12:00 -04:00
Ray Speth
c371751f65
Remove obsolete references to Subversion
2015-04-29 18:06:40 -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
bc4c71f8ee
[Thermo] Ensure that site density is always positive
...
A site density of zero causes divide-by-zero errors in SurfPhase and
EdgePhase. This change makes it possible to initialize SurfPhase and
EdgePhase objects without XML phase descriptions.
2015-04-28 17:13:11 -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
a9c6eb6fda
[Kinetics] Add methods for inspecting ChebyshevRate objects
2015-04-24 18:53:02 -04:00
Ray Speth
b12c90b315
[Doc] Add missing docstrings for ChebyshevRate and Plog
2015-04-24 18:13:46 -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
a4ba47594c
[Python] Add functions for creating Species objects from CTI/XML
2015-04-22 14:08:24 -04:00
Ray Speth
b0e5b13913
Remove redundant, unnamed root XML node from parsed documents
...
XML_Node::build will make that node the root node (i.e. the 'ctml' node)
of the tree, instead of giving that node a child node containing the actual
root node.
2015-04-20 18:34:39 -04:00
Ray Speth
96cf312ec6
[Thermo] Always add species using Species objects
...
Deprecate the non-Species-based addSpecies and addUniqueSpecies
functions.
2015-04-20 18:34:38 -04:00
Ray Speth
2ca603838d
[Thermo] Extract 'newSpecies(XML_Node&) from thermo initialization
...
VPStandardStateTP phases now use the same pathway for adding species as
other phase in importPhase. Deprecate the now-unused 'installSpecies'
function.
2015-04-20 18:34:37 -04:00
Ray Speth
d27b9ef9b1
[Thermo] Species size defaults to 1.0
...
This mostly affects surface phases, where a species size of 0 causes
several problems.
2015-04-20 18:34:37 -04:00
Ray Speth
a471e4316a
[Thermo] Phase::addSpecies takes shared_ptr by value
...
This helps to clarify that addSpecies stores a copy of the shared_ptr.
2015-04-20 18:34:37 -04:00
Ray Speth
a63874e4b4
[Transport] Refactor TransportData initialization
2015-04-20 18:34:36 -04:00
Ray Speth
aee6cc14ac
[Transport] Remove 'name' variable from TransportData
...
This was used only for validation error messages, but in that case we can just
use the Species object which is available during validation.
2015-04-17 19:06:43 -04:00
Ray Speth
7d170a9989
[Thermo] newSpeciesThermoInterpType argument is the 'thermo' XML node
...
No data from the outer 'species' node is needed to instantiate the
SpeciesThermoInterpType object, so this function can just take the 'thermo' node
directly.
2015-04-17 19:06:43 -04:00
