Ray Speth
77ccab92bd
[Kinetics] Implement evaluation of "chemically activated" reaction rates
2013-07-06 21:44:02 +00:00
Ray Speth
8b87087e41
[Kinetics] Populate m_rxntype
2013-07-06 21:43:56 +00:00
Ray Speth
d253fc0d63
Eliminate redundant standard library includes
2013-06-05 17:08:13 +00:00
Ray Speth
1ed172a4d4
[Kinetics] Lazy evaluation of temperature-dependent terms in rate expression
...
This interacts well with the new formulations for the Reactor governing
equations where T is an independent variable, which means that the
temperature-dependent terms do not need to be updated when computing the
Jacobian terms involving derivative with respect to composition.
2013-05-29 00:11:52 +00:00
Ray Speth
2e26abd4f9
[Kinetics] Fixed a NaN result in falloff reaction rates
...
A NaN result could be caused by an underflow in the high-pressure rate
expression.
2013-05-06 20:05:57 +00:00
Ray Speth
259ceaa9a6
Added assertions to check that some variables remain finite
2013-05-06 20:05:53 +00:00
Ray Speth
0a059d406a
Eliminated unnecessary empty destructors from derived classes
...
See http://www.parashift.com/c++-faq-lite/virtual-dtors.html
2013-04-29 18:04:23 +00:00
Ray Speth
d103ec8d2f
Cleaned up Doxygen documentation for class Kinetics and descendants
2013-04-12 23:05:20 +00:00
Ray Speth
229ef825f0
[Kinetics] Refactored GasKinetics to more easily support derived classes
2013-03-04 17:31:32 +00:00
Ray Speth
8847b5abac
[Kinetics] Ensure that equilibrium constants are not zero
...
This prevents reverse rate constants from becoming NaN when the forward rate
constant underflows.
2013-02-15 17:31:15 +00:00
Ray Speth
e04e59cdd3
Removed extraneous parentheses around arguments to 'return'
...
'return' is a keyword, not a function, so these parens are unnecessary.
2013-02-14 01:03:48 +00:00
Ray Speth
a25c1a43b3
[Kinetics] Fixed crashes when reaction mechanism contains no reactions
...
Make sure several arrays are never of length zero so that taking &v[0]
is always well-defined.
2013-02-14 01:02:18 +00:00
Ray Speth
94d08f1d5e
Removed unnecessary casts from object duplication functions
2012-10-24 15:45:33 +00:00
Ray Speth
52cf8cecae
Eliminated some unnecessary memory management in stoichiometry managers
2012-03-30 23:48:32 +00:00
Ray Speth
7bfd094eaf
Implemented Chebyshev rate expressions
2012-03-30 23:48:25 +00:00
Ray Speth
9adbd2dc8f
Simplified GasKinetics by eliminating class GasKineticsData
2012-03-30 23:48:13 +00:00
Ray Speth
510b25b884
Implementation of P-log rate expressions
...
Also includes skeleton for implementing Chebyshev rates.
2012-03-30 23:47:50 +00:00
Ray Speth
234439d10f
Make use of the ReactionData struct when installing reactions
2012-03-30 23:47:38 +00:00
Ray Speth
b4c07978e6
Implemented parsing of P-log and Chebyshev reactions from CTML
2012-03-30 23:47:31 +00:00
Ray Speth
1e8870191d
Moved m_kk up to the base Kinetics class
2012-03-15 19:51:16 +00:00
Ray Speth
b955395ed1
Skip cast from size_t to int when calling int2str
2012-02-27 18:14:17 +00:00
Ray Speth
437294ae00
Removed previously-deprecated array_fp typedef
2012-02-22 00:16:22 +00:00
Ray Speth
a310345b9e
Updated #includes to reflect new header file locations
2012-02-12 02:44:14 +00:00
Ray Speth
2528df0f75
Reorganized source tree structure
...
These changes make it unnecessary to copy header files around during
the build process, which tends to confuse IDEs and debuggers. The
headers which comprise Cantera's external C++ interface are now in
the 'include' directory.
All of the samples and demos are now in the 'samples' subdirectory.
2012-02-12 02:27:14 +00:00
