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307 commits

Author SHA1 Message Date
Victor Brunini
4f41718e5b Make all ThermoPhase setState functions virtual. 2012-12-13 22:14:02 +00:00
Ray Speth
b4f34045a8 [1D] Added a minimum grid spacing parameter 2012-12-06 17:31:44 +00:00
Ray Speth
347029d06a [1D] Added loglevel for saving residual components 
At loglevel 8, the residual after each Newton step, set of time steps, or grid
refinement is saved to 'debug_sim1D.xml'.
 2012-12-06 17:31:35 +00:00
Ray Speth
ecb930e9f7 [1D] Added a nSpecies() method to Bdry1D 2012-12-04 20:28:43 +00:00
Harry Moffat
c6f7abbf2f Fixed a serious error in InterfaceKinetics that had crept into this branch. 
Started upgrade/update of equilibrium solver
       - Fixed numerical jacobian calculation of the ln activity coefficients.
 2012-11-29 02:18:05 +00:00
Victor Brunini
c3233c1355 Update TransportFactory to allow the specification of the number of 
dimensions in the problem and default it to 1. At present this is
only passed through to the LiquidTransport constructor.

Remove LiquidTransport member m_nDim since the base Transport class
already stores m_nDim.

Don't set m_nDim to 1 in LiquidTransport constructor, it is set by
the Transport constructor.
 2012-11-26 20:19:57 +00:00
Ray Speth
7ed2a02953 StFlow::_getInitialSoln now sets the solution to a valid thermodynamic state 
This fixes errors that occured when the "showSolution" method was called before
explicitly setting the initial solution profile.
 2012-11-14 21:07:13 +00:00
Victor Brunini
7d8a61baf1 Clean up function prototypes to avoid 'a is hidden by b' warnings 
where the subclass prototype had an int and the super had a size_t
for a virtual function of the same name.
 2012-11-14 00:04:05 +00:00
Victor Brunini
28171eeece Update the definition of getSpeciesFluxesES to use all size_t 
instead of int to match the definition for the base Transport class.
Prior to this LiquidTransport::getSpeciesFluxesES was not overriding
the virtual Transport::getSpeciesFluxesES because the prototypes
differed.
 2012-11-13 21:59:11 +00:00
Harry Moffat
08a41f191c Added back constructPhaseFile() and constructPhaseXML(). 
All molten salt problems were broken and some brine problems were broken.
 2012-11-07 23:51:30 +00:00
Harry Moffat
83391db4fe Added back Cantera.h 
Note in the near future, we'll require that all Cantera code include this file so that the environment may be set up correctly.
 2012-11-07 23:41:58 +00:00
Victor Brunini
7c70568bb3 Clean up compiler warnings. 2012-11-07 21:08:56 +00:00
Ray Speth
fe6b5d3c0b Changed the ordering of Reactor sensitivity coefficients 
The order now matches the order in which the corresponding sensitivity reactions
are added to the ReactorNet, regardless of the order in which Reactors and Walls
are added to the network.

Sensitivity parameter names can be accessed using the "sensitivityParameterName"
method of ReactorNet, and the "sensParamID" methods of Reactor and Wall have
been removed as they no longer meaningful.
 2012-11-02 20:07:25 +00:00
Ray Speth
e34ac55f4f [Cython] Added sensitivity analysis to Reactor / ReactorNet 2012-11-02 20:07:15 +00:00
Ray Speth
845b73405e Merge bug fixes from 2.0 maintenance branch 2012-10-30 15:46:10 +00:00
Ray Speth
86e7723c26 Fixed sign error in isothermalCompressibility of ideal phases 2012-10-30 15:30:27 +00:00
Ray Speth
af10c288b4 Removed some unused member variables from PDSS classes 2012-10-24 15:46:57 +00:00
Ray Speth
436f38c6a6 Removed some unused member variables from Transport classes 2012-10-24 15:46:45 +00:00
Ray Speth
120600c625 Removed some unused member variables from ThermoPhase classes 2012-10-24 15:46:31 +00:00
Ray Speth
5e34beb4a8 Fixed incorrectly defined duplication method of ConstDensityThermo 2012-10-24 15:46:22 +00:00
Ray Speth
c9ba50ecc6 Removed unimplemented method VPSSMgr_General::err 2012-10-24 15:46:15 +00:00
Ray Speth
94d08f1d5e Removed unnecessary casts from object duplication functions 2012-10-24 15:45:33 +00:00
Ray Speth
3df93b8f4c Removed some dead code 2012-10-24 15:45:08 +00:00
Ray Speth
f4d35e4bd7 Always pass "const std::string&" instead of "const std::string" 2012-10-24 15:44:54 +00:00
Ray Speth
1d19803885 Pass "const std::string&" instead of "std::string" when possible 2012-10-24 15:42:51 +00:00
Ray Speth
d2ac071660 Fixed a few missing #includes 2012-10-24 15:42:29 +00:00
Ray Speth
e9026fb683 Removed the broken/unused PID_Controller class 2012-10-12 20:34:56 +00:00
Ray Speth
3f17786c01 Removed some commented-out includes 2012-10-12 20:34:48 +00:00
Ray Speth
c404c31879 Eliminated unnecessary string copying in Reactor / ReactorNet 2012-10-12 20:34:41 +00:00
Ray Speth
11a11bea79 Removing deprecated / nonfunctional methods from Reactor 
These functions / variables are for driving the time integration, which is
handled entirely by ReactorNet.
 2012-10-12 20:34:33 +00:00
Ray Speth
5252c41a80 [Cython] Full implementation of zero-dimensional reactor networks 2012-10-10 18:25:20 +00:00
Ray Speth
dec608b811 Fixed ReactorNet::setInitialTime to actually set the initial integrator time 
Removed the optional argument to ReactorNet::initialize so that setInitialTime
is the only interface for setting the integrator start time, and made initialize
protected to make it clear that it does not need to be explicitly called by the
user.
 2012-10-10 18:25:12 +00:00
Ray Speth
5f2ec1f11d Added ability to switch between transport models in the Cython module 2012-09-06 19:59:45 +00:00
Ray Speth
8afc669b67 Proof-of-concept for a Python interface written using Cython 
This module is compatible with both Python 2 and Python 3. Unlike the existing
Python module, this module directly utilizes the Cantera C++ interface,
bypassing the "clib" compatibility layer, as well as all of the direct use of
the Python C API.

Currently, this contains just enough to instantiate a ThermoPhase object from an
XML input file.
 2012-09-06 19:55:25 +00:00
Ray Speth
f45b2b1ddc Removed unused variable 'm_efctr' from StFlow 2012-08-29 22:13:59 +00:00
Ray Speth
85571ab7c8 Removed unused functions from Rate1 and removed the unused Rate2 class 2012-08-29 22:13:49 +00:00
Ray Speth
6e63ad9c91 Removed unnecessary iterators from RateCoeffMgr 2012-08-29 22:13:45 +00:00
Ray Speth
a549782c7f Eliminated some unnecessary usage of strcpy 2012-08-17 16:44:50 +00:00
Ray Speth
49dbb605ab Changed parseCompString to simplify its typical usage pattern 2012-08-17 16:44:34 +00:00
Ray Speth
fe72446fa0 Factored out a helper function for setState_HPorUV and setState_SPorSV 2012-08-17 16:44:24 +00:00
Ray Speth
848eb619dd Simplified conditional statements in SetState_HPorUV and SetState_SPorSV 2012-08-17 16:44:16 +00:00
Ray Speth
3fbf298a21 Removed redundant implementation of speciesThermo() from LatticeSolidPhase 2012-08-17 16:44:07 +00:00
Ray Speth
85d9d360c7 Fixed a bunch of spelling issues 2012-08-17 16:43:34 +00:00
Ray Speth
01a9bdcf58 Fixed handling of explicit reaction orders for some reactions 
For reactions with unity reactant stoichiometric coefficients, explicit values
for the forward reaction order were being ignored while setting up the
StoichManager.

Added a few tests that confirm that these rates are being calculated correctly.
 2012-08-17 16:43:13 +00:00
Ray Speth
021f66c755 Merge bug fixes from the 2.0 maintenance branch 2012-08-15 15:36:34 +00:00
Ray Speth
16462628a7 Error message printed by Plog::validate now indicates the problematic reaction 2012-08-15 15:14:02 +00:00
Ray Speth
443e35bc36 Removed obsolete method for calculating initial mole fractions in VCS solver 
This has the extra benefit of allowing removal of some f2c-converted code
that was being kept in an inconsistent location (outside the 'ext' directory)
and caused linking issues with some combination of build options.
 2012-08-12 22:59:44 +00:00
Ray Speth
1becffecb0 Disallow setting negative temperature or density 2012-08-11 23:58:29 +00:00
Ray Speth
51a3decaa1 Moved some classes out of the global namespace into namespace Cantera 2012-08-08 22:18:15 +00:00
Ray Speth
fc05538d0a Removed old copy of Cantera.h that snuck back in 2012-08-08 22:18:04 +00:00