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982 commits

Author SHA1 Message Date
Ray Speth
41a6e78ff1 Remove incorrect comments from 'newTransportMgr' functions 2014-07-25 18:32:24 +00:00
Ray Speth
d5b873b697 [1D] Fix mass flux reported by Inlet1D for freely-propagating flames 2014-07-18 18:10:56 +00:00
Ray Speth
884dd36b9c [Reactor] Remove unused reactor connectivity calculation 2014-07-18 15:14:12 +00:00
Ray Speth
1b1703cc56 [Reactor] Remove unused variable ReactorBase::m_init 2014-07-18 15:14:07 +00:00
Bryan W. Weber
ad3ac0a1ad [Matlab/Doc] Add automatically generated Contents.m to the toolbox. 2014-07-18 14:37:47 +00:00
Ray Speth
d46bc31d2c Simplify SolveSP printing functions 
Remove unused arguments. Merge printIteration and PrintFinal.
 2014-07-10 22:36:54 +00:00
Ray Speth
45f6e84ebf Improved error messages that just reported 'confused' 2014-07-10 22:36:43 +00:00
Ray Speth
5ebdb7e924 Use execeptions to simplify usage of ElemRearrange 2014-07-10 22:36:36 +00:00
Ray Speth
c4beab316f Remove unnecessary class forward declarations 2014-07-10 22:34:44 +00:00
Ray Speth
040958a5f5 Add some deprecation warnings 2014-07-10 22:34:33 +00:00
Ray Speth
a2e3e97a1f [1D] Check that specified grid is monotonically increasing 2014-07-10 22:34:05 +00:00
Ray Speth
19e3a09980 Allow '~/' as alias for user's home directory when importing cti/xml 2014-07-10 22:33:20 +00:00
Ray Speth
8bee138553 [Kinetics] Add access to reactant and product strings 
In C++, these are the reactantString() and productString() methods.  In Python,
these are the 'reactants' and 'products' properties.

Resolves Issue 110.
 2014-06-20 18:45:17 +00:00
Ray Speth
a470502932 [Transport] Replace transport_log.xml with regular text logging 
Write plain text to the common Cantera logger to be more consistent with the
verbose/debug logging from other parts of Cantera. This simplifies several of
the transport initialization functions, and eliminates the need for class
XML_Writer.
 2014-06-20 18:44:59 +00:00
Ray Speth
3349a28d38 Update some deprecation warnings. 2014-06-20 18:44:39 +00:00
Ray Speth
e778afad32 Remove deprecated functions 2014-06-20 18:44:33 +00:00
Ray Speth
01987b4438 [Thermo] Implement missing SurfPhase functions 
Adding the entropy_mole, cp_mole, and cv_mole functions fixes the silent failure
of the report() function for surface phases.
 2014-06-16 22:00:25 +00:00
Ray Speth
6ffbaa5f77 [Reactor] Remove unneeded variables from ReactorBase 2014-06-10 16:23:43 +00:00
Ray Speth
8b5ca80303 [Reactor] Implement reactor network reinitialization 
Adds ReactorNet::reinitialize, which skips all one-time initialization and
re-uses the same CVODES integrator. The Reactor::syncState() method is
introduced for applying new initial conditions for individual Reactor objects.

This approach increases efficiency when solving many similar problems with short
integration times, for example when being used as the chemistry term integrator
in an operator-split CFD code.
 2014-06-10 16:23:03 +00:00
Ray Speth
1437aade8c [Reactor] Refactor updateState and getInitialConditions implementations 
Extract common parts related to surface species
 2014-06-10 16:22:46 +00:00
Ray Speth
67de2fa793 [Reactor] Refactor re-implementations of Reactor::initialize 
The base class methods does almost all the initialization needed for the derived
classes, so call that first and then do any additional steps needed.
 2014-06-10 16:22:37 +00:00
Ray Speth
0da063cdef [Reactor] Refactor wall / surface chemistry evaluation 
This creates a single implementation of the calculation of the contributions of
walls and surface chemistry to the governing equations for all reactor types.
 2014-06-10 16:21:56 +00:00
Ray Speth
1ea1e705f3 Remove redundant 'NotImplemented' exception class 2014-06-10 16:21:16 +00:00
Ray Speth
83e38480d6 Throw exceptions instead of calling std::exit after an error 
By throwing an exception, Cantera is better behaved when used within other
applications, e.g. as in the case of the Matlab and Python interfaces.
 2014-06-06 00:17:58 +00:00
Ray Speth
a583949457 [Reactor] ReactorNet::addReactor takes a reference instead of a pointer 
This reflects how the function is usually used. The old signature is now
deprecated, as is the extra argument for transfering "ownership" to the
ReactorNet object.
 2014-06-06 00:17:41 +00:00
Harry Moffat
199cd4ceba Changes in InterfaceKinetics to allow for downstream hooks to add in the capability to model 
arbitrarily fit open circuit potentials for intercalating electrodes.
 2014-06-05 22:43:41 +00:00
Harry Moffat
f2130b5e3f Added a missing function 2014-06-05 22:41:55 +00:00
Harry Moffat
f3a0092b42 Fixed a error introduced by Speth that caused the brine phase pop problems to fail. 2014-06-05 22:40:20 +00:00
Ray Speth
ea3f74eb27 [Thermo] 'report' only prints species with non-trivial mole fractions 
The threshold for printing species is a new, optional parameter to the
'report' function. If any species are excluded, the total number of
minor species and their aggregate mass and mole fraction are printed.
 2014-06-03 16:54:15 +00:00
Ray Speth
dbfe428437 Fix compiler warnings 
These were mostly related to changes from r2957.
 2014-06-03 16:53:40 +00:00
Ray Speth
d38e4553ec Eliminate 'goto' in VCS_SOLVE::vcs_inest 2014-06-03 16:53:34 +00:00
Ray Speth
b5396837b2 Make use of std::min, std::max, and clip 2014-06-03 16:52:43 +00:00
Ray Speth
a5d735f047 [Reactor] Disable verbose output by default, even in "debug mode" 2014-06-03 16:52:09 +00:00
Ray Speth
0e9ca0fc4b [Reactor] Eliminate tracking of Reservoirs by ReactorNet 
Since Reservoirs don't have any equations to solve, there is no reason to add
them to a ReactorNet.
 2014-06-03 16:52:00 +00:00
Ray Speth
2d1003271d [Reactor] Replace ReactorNet::m_size with m_start 
A small simplification since the offset into the global solution vector is
usually what we're interested in.
 2014-06-03 16:51:47 +00:00
Ray Speth
fb588d873b Remove deprecated / unfinished 'spectra' classes 2014-05-30 19:23:37 +00:00
Ray Speth
46a36c11cb Eliminate redundant VCS vector functions 
These functions just duplicated features of the standard library.
 2014-05-30 19:23:25 +00:00
Ray Speth
c6cefd6df8 Replace IntStarStar with Array2D 2014-05-30 19:23:16 +00:00
Ray Speth
b569b842d0 Replace DoubleStarStar with Array2D 2014-05-30 19:23:03 +00:00
Ray Speth
548b5ca468 Remove cti2ctml binary 
Use of cti2ctml binary can be replaced with using ctml_writer.py script
directly.
 2014-05-29 18:34:44 +00:00
Ray Speth
f80db6c08d Make function signatures independent of DEBUG_MODE 2014-05-27 02:54:34 +00:00
Ray Speth
ddfc7db080 Make helper functions for pieces of vcs_solve_TP main loop 2014-05-27 02:54:24 +00:00
Ray Speth
ad12f392ce Some cleanup of vcs_solve_TP 
Use local variables where possible. Remove unreachable code.
Move repeated code out of if/else blocks. Flatten nested if statements.
 2014-05-27 02:54:11 +00:00
Ray Speth
32276b1fda Refactor vcs_solve_TP to eliminate goto 
This contains just the changes to the flow control to give the same
behavior as the original implementation. Additional refactoring
still to come.
 2014-05-27 02:54:07 +00:00
Ray Speth
40e748a2d1 Set printLvl = loglevel for VCS solver since it doesn't use loglevel 2014-05-27 02:53:47 +00:00
Ray Speth
373e4ae565 Remove goto and manual memory management from MultiPhase::equilibrate 2014-05-27 02:53:42 +00:00
Ray Speth
4b9e4da822 Fix some compiler warnings 2014-05-27 02:53:35 +00:00
Ray Speth
712293e415 Change debug code to avoid ifdefs where possible 
Use "if (DEBUG_MODE_ENABLED)" instead of "#ifdef DEBUG_MODE". This makes
it easier to see the flow control logic, and the compiler will optimize
out the always-false conditionals when DEBUG_MODE_ENABLED is 0, so there
isn't any speed penalty.
 2014-05-27 02:53:22 +00:00
Ray Speth
7ec4531ae0 Removed debugging code that didn't actually do anything 2014-05-27 02:53:16 +00:00
Ray Speth
6c0cea5ee4 Standardize function used for writing a line of repeated characters 2014-05-27 02:53:06 +00:00