Ray Speth
6ca9dc2cc3
[Kinetics] Remove unused m_finalized member variable
2016-10-13 18:40:03 -04:00
Ray Speth
ae6e7fdff7
Add license/copyright info to files that were missing it
2016-10-10 22:48:23 -04:00
Ray Speth
1ba5f6b879
[Kinetics] Allow adding species after reactions for homogeneous kinetics
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This enables incremental mechanism construction for gas phase kinetics. For
surface kinetics, adding new species changes the kinetics species index of
existing species in other phases, so this feature is disabled.
2016-04-16 11:52:08 -04:00
Ray Speth
1f231d1dd0
[Kinetics] Eliminate need for 'finalize' method
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All reaction-sized arrays are now allocated as reactions are added, which means
that the finalize() method is unnecessary and reactions can be continuously
added, even after the Kinetics object has been used for rate calculations.
2016-04-15 17:05:10 -04:00
Ray Speth
13fa0c7a4f
Add invalidateCache() function to ThermoPhase and Kinetics
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This can be used to invalidate cached data after a change to underlying data
such as species thermo coefficients or reaction rate coefficients. Needs to be
user-accessible so that dependent objects can be updated manually.
2016-04-15 15:32:38 -04:00
Ray Speth
75b0c71044
Clean up comments in Kinetics
2015-11-09 17:59:22 -05:00
Ray Speth
78e2d13da7
Eliminate some special cases by using std::vector.data()
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Unlike &vec[0], vec.data() is a valid operation even when vec is empty,
removing the need to allocate space in vectors just so we can get an
address that won't be used.
2015-10-14 18:45:23 -04:00
Ray Speth
2589a27b6c
Use range-based for and auto to simplify some loops
2015-10-14 18:45:23 -04:00
Ray Speth
ceefc5ecb0
Consistently use ThermoPhase::RT()
2015-08-02 23:06:16 -04:00
Ray Speth
acdf9cf0ed
Clean up interstitial whitespace
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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
e4c45b6429
General whitespace cleanup
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Remove unnecessary blank lines and trailing whitespace. Replace tabs with
spaces.
2015-08-02 23:06:15 -04:00
Ray Speth
f623e44d32
[Kinetics] Eliminate unnecessary m_rrxn and m_prxn variables
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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
546289f737
Remove deprecated code with functional alternatives
2015-07-13 18:59:09 -04:00
Ray Speth
62cd325036
[Kinetics] Implement modifyReaction for gas-phase reactions
2015-05-07 18:31:40 -04:00
Ray Speth
14b2e8f5cf
[Kinetics] Fix 'skip_undeclared_species' behavior
2015-05-06 21:14:58 -04:00
Ray Speth
cf3ad30537
[Kinetics] Changing a rate multiplier invalidates existing ROPs
2015-02-26 21:54:04 +00:00
Ray Speth
b4afcd3e8e
[Kinetics] Implement addReaction using Reaction objects for GasKinetics
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This covers elementary, third-body, and falloff reaction types
2014-11-11 00:11:25 +00:00
Ray Speth
557ffffc5b
[Kinetics] Combine ReactionStoichMgr with class Kinetics
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Class ReactionStoichMgr is now deprecated, as all of its functions were just
pass-throughs between Kinetics and StoichManagerN.
2014-11-01 00:13:46 +00:00
Ray Speth
3b71d75ada
[Kinetics] Add class BulkKinetics
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This class serves as a common base for GasKinetics and AqueousKinetics,
eliminating most of the redundancy between the two classes.
2014-10-30 21:09:59 +00:00
