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733 commits

Author SHA1 Message Date
Ray Speth
6c0cea5ee4 Standardize function used for writing a line of repeated characters 2014-05-27 02:53:06 +00:00
Ray Speth
789574ac80 Remove commented-out code 2014-05-27 02:52:21 +00:00
Ray Speth
4dcdc01fb8 [VCS] Use local variable declarations where possible 2014-05-23 22:47:03 +00:00
Ray Speth
87553767d5 Eliminate 'goto' from 'isDuplicateReaction' 2014-05-21 16:35:14 +00:00
Ray Speth
90a821caf6 Eliminate 'goto' from ChemEquil::estimateEP_Brinkley 2014-05-21 16:35:09 +00:00
Ray Speth
44e7dd91ad [Equil] Eliminate 'mlequ' and 'gaussj' in favor of using LAPACK 2014-05-21 16:35:02 +00:00
Ray Speth
ef781b44e6 Restructure ChemEquil::equilibrate to eliminate 'goto' statements 2014-05-21 16:34:57 +00:00
Ray Speth
08e9d94ad6 [Thermo] Remove unimplemented overrides of getParameters/setParameters 2014-05-21 16:34:39 +00:00
Harry Moffat
675df76b1c Fixed a long standing problem with the combination of storred XML files and duplicator functions. 
Now the complete XML file is storred within the ThermPhase object starting with the root node.
This is needed for later processing of kinetics and transport mechanisms when the ThermoPhase
file is duplicated and the original file is deleted.

xml() is now a const function, and still returns the same pointer.
setXMLdata() is a new function will stores the xml data.
 2014-05-20 19:02:20 +00:00
Ray Speth
f61747973c [Thermo] Extract common implementations out of PDSS descendants 
The descendants either calculate molar properties from nondimensonal properties
or vice versa. Add two derived classes to PDSS to implement these behaviors, and
have the leaf classes derive from whichever one of these makes sense.
 2014-05-08 23:01:59 +00:00
Ray Speth
0eeae5d9c0 [Thermo] Remove unnecessary manual memory management from PDSS_Water 2014-05-08 23:01:53 +00:00
Ray Speth
edaef6a0b7 [Thermo] Remove redundant methods of PDSS descendants 
The removed methods repeated the implementation of the base class.
 2014-05-08 23:01:43 +00:00
Ray Speth
7fff65cecd Remove previously-deprecated 'PrintCtrl' and 'LogPrintCtrl' classes. 2014-05-08 23:01:32 +00:00
Ray Speth
54ded64e4b Miscellaneous whitespace cleanup 2014-05-08 23:01:12 +00:00
Ray Speth
bc0346eae7 Avoid deadlocks in cti to ctml conversions on Windows 2014-05-06 14:39:48 +00:00
Ray Speth
2a9ab96609 Use NotImplementedError instead of 'err' member functions 2014-05-06 14:39:13 +00:00
Ray Speth
8cfac61a83 Use configuration checks to determine names for 'isnan' and 'finite' 2014-05-03 17:39:33 +00:00
John Hewson
b84f19c439 In InterfaceKinetics added some comments and clarified function names. 
Formerly getExchangeCurrentQuantities() is now
updateExchangeCurrentQuantities().  This method updates things like
m_StandardConc for computing reaction rates.

Formerly applyExchangeCurrentDensityFormulation() is now
convertExchangeCurrentDensityFormulation().  This method converts
rate expressions from A/m2 to kmol/m2/s.
 2014-04-22 22:25:59 +00:00
Harry Moffat
f1863b103a Some changes to make XML sections of liquid transport more orderly, uniform, and processed in 
only one place.
 2014-04-20 02:12:35 +00:00
Harry Moffat
3df834565b Added more error checking for ill-formed csv files 2014-04-20 01:59:46 +00:00
Harry Moffat
96b01a6c79 Added better error handling for the XML routine. 
Added a couple of TODOs
 2014-04-19 01:31:21 +00:00
Harry Moffat
c16227a919 Added error handling statement 2014-04-19 01:29:36 +00:00
Harry Moffat
e977eba704 Added initializations for quantities that showed up as UMR's in cantrilbat 2014-04-19 01:20:05 +00:00
Harry Moffat
6e40841d94 Added missing member functions for partial molar quantities 2014-04-18 23:53:38 +00:00
Harry Moffat
dfbeeb374e Added additional checks for badly formed csv files. 2014-04-18 23:43:47 +00:00
Harry Moffat
446b39c877 Fixed error for two line csv files 2014-04-18 16:44:44 +00:00
Ray Speth
b4b97e622a [Thermo] Remove manual memory management from ShomatePoly2 2014-04-14 18:37:36 +00:00
Ray Speth
1df2ed5611 Add a missing #include 2014-04-14 18:37:24 +00:00
Ray Speth
79bbdf3aff [Thermo] Make use of initializers in SpeciesThermoInterpType classes 2014-04-14 18:37:12 +00:00
Ray Speth
588728addc [Equil] Make vcs_MultiPhaseEquil::m_vprob a normal member variable 2014-04-14 18:37:06 +00:00
Ray Speth
818a22be05 [Equil] Make vcs_MultiPhaseEquil::m_vsolvePtr a normal member variable 
There is no reason for this to be a pointer.
 2014-04-14 18:36:58 +00:00
Ray Speth
fcf7edf694 Implement Sub::name and Sub::formula in the base class 
Eliminates the need for redundant implementations in all the derived
classes. Also, make the return value a "const char*" to eliminate the dangerous
cast.
 2014-04-14 18:36:32 +00:00
Ray Speth
c887c1b6fb Remove unnecessary calls to parseCompString 2014-04-08 19:39:06 +00:00
Ray Speth
6449415933 [Thermo] Simplify setState specialization of SingleSpeciesTP 
We don't need to override every function that sets the mass/mole fractions, just
the ones that would have actually done something.
 2014-04-08 16:26:29 +00:00
Ray Speth
14ea7e64c6 [Thermo] make compositonMap a const argument 2014-04-08 16:26:20 +00:00
Ray Speth
beeaa21644 Deprecate unused stringUtils functions 2014-04-02 15:26:42 +00:00
Ray Speth
43546f870f fpValueCheck detects (invalid) decimal ponts in exponents 2014-04-02 15:26:31 +00:00
Ray Speth
4a6dd84f81 [Thermo] Check composition strings for invalid float literals 2014-04-02 15:26:20 +00:00
Ray Speth
14fe11d661 [Thermo] Miscellaneous cleanup of ThermoFactory 2014-03-28 23:13:11 +00:00
Ray Speth
3530050dc4 [Thermo] Remove redundant overrides of ThermoPhase::eosType() 2014-03-28 23:12:53 +00:00
Ray Speth
9e4ae0d050 Deprecate unused global 'error' function 2014-03-28 23:12:36 +00:00
Ray Speth
a17085661f [Fortran] Remove unhelpful error handling in _fkin() 2014-03-28 23:12:25 +00:00
Ray Speth
4587883d5e Remove try/catch from ReactorNet::evalJacobian 
This function isn't actually called by CVODE (which uses its own difference
quotient method for calculating the Jacobian), so the note here isn't correct.
 2014-03-28 23:12:17 +00:00
Ray Speth
2468b47ae7 [Thermo] Remove unimplemented overrides of ThermoPhase methods 
ThermoPhase already provides an implementation of these methods that raises
an exception to indicate that the method is unimplemented. Therefore,
derived classes which do not implement a method do not need to do this.
 2014-03-27 01:29:27 +00:00
Ray Speth
f1066aa072 [Thermo] Remove redundant versions of intEnergy_mole and gibbs_mole 2014-03-27 01:29:13 +00:00
Ray Speth
5b77bbb719 [1D] Add bounds checks to setRefineCriteria 2014-03-24 21:38:22 +00:00
Ray Speth
aa4dcf393c [1D] Avoid Jacobian update after successful solve 
Calling solve() again after a successful solution no longer automatically
triggers a Jacobian update. This enables relatively efficient sensitivity
analysis by sequentially perturbing the reaction multipliers and re-solving
the system. Since the perturbed system is close to the orignal, the solution
can be found after only a few steps, even when using the original Jacobian.
 2014-03-24 04:03:44 +00:00
Ray Speth
de8a19ed0f Remove spaces adjacent to '::' in member function definitions 2014-03-24 04:03:30 +00:00
Ray Speth
95eb7ab3ba Remove newline after '::' in member function definitions 
This inconsistency makes it hard to directly search the code for a specific
member function definition.
 2014-03-24 04:03:09 +00:00
Ray Speth
90c2d58973 [Numerics] move 'm_factored' up to GeneralMatrix 2014-03-24 04:03:01 +00:00