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1243 commits

Author SHA1 Message Date
Harry Moffat
9da8402543 Changed the interface to allow values of 0, 1, and -1 for 
estimateEquil.
  0 don't estimate
  1 estimate only if element abundances aren't satisfied
 -1 always estimate.
 2008-05-06 16:53:37 +00:00
Harry Moffat
7b4e4ec1c4 Simplify treatment of units within the equilibrium solver 
-> always assumes numbers are in kmol
  -> always assumes pressures are in pascal
  -> always assumes volumes are in m**3
 2008-04-28 16:08:35 +00:00
Harry Moffat
6667d79319 Changed variable names. 
Fixed an error with the print out of the pressure units.
 2008-04-25 02:38:38 +00:00
Harry Moffat
afd90fb206 change of variable names 2008-04-25 00:28:38 +00:00
Harry Moffat
0f4c0a3f7c Changed variable names 2008-04-23 16:08:16 +00:00
Harry Moffat
4769e38ac0 Changed variable names 2008-04-23 15:19:24 +00:00
Harry Moffat
6b660b30c9 Changed variable names. 2008-04-22 22:50:33 +00:00
Harry Moffat
573ec09d45 Changed variable names. 2008-04-22 22:25:11 +00:00
Harry Moffat
90bf6f92d7 Changed names of some variables. 2008-04-22 20:46:17 +00:00
Harry Moffat
5ee0f16d88 Changed names of a variable. 2008-04-21 19:27:07 +00:00
Harry Moffat
75c11d40b3 Changed the name of a variable. 2008-04-21 16:50:26 +00:00
Harry Moffat
69e42f89cc Changed the name of a variable. 2008-04-18 22:21:47 +00:00
Harry Moffat
a10cf07683 Changed the name of one variable. 2008-04-18 21:14:05 +00:00
Harry Moffat
1f8618f090 Changed a variable name 2008-04-18 20:56:59 +00:00
Harry Moffat
b9533bcf34 Changed name of a variable. 2008-04-17 16:53:17 +00:00
Harry Moffat
aa50717d7b Fixed an issue with the interface for specifying whether the 
solution is estimated or not.
 2008-04-16 22:07:36 +00:00
Harry Moffat
df8e9e0db5 Added a vcs_MultiPhaseEquil.h include file. 2008-04-16 21:01:43 +00:00
Harry Moffat
6523642dd4 Turned off a print statement. 
Added ct_defs.h and thus config.h to the .h files.
 2008-04-16 20:57:50 +00:00
Harry Moffat
e58194df44 Fixed logic errors in the return code 
Tweaked the algorithm that decides which species are components.
  Stoichiometric phase species are now favored.
 2008-04-16 19:19:01 +00:00
Harry Moffat
58ddc135eb Switched the implementation of intValue() and fpValue() to the .cpp file 
from the .h file. This also fixes a compile problem a user had involving
a header file (that wasn't in the .h file but was in the .cpp file).
 2008-04-15 15:28:53 +00:00
Harry Moffat
daa479d4f7 Changed the algorithm for picking the component basis. 
It used to be that the components were picked based on the magnitude
of their mole numbers. I changed this to the magnitude of the
mole numbers multiplied by the # elements in the species.

  On one problem, a heptane combustion mechanism, this reduced  the
number of iterations in the VCS algorithm from 1080 to 40. Obviously,
the convergence rate within the VCS method
depends on the ID of the components. This change should be considered
as a trial balloon. It may fall apart on some other problem.

 I may be forestalling the obvious here. The more complete solution
is to formualte the hessian of the rxns involving the
major species, and then invert it, using cg probably, to get a better
iteration direction.
 2008-04-14 17:22:02 +00:00
Harry Moffat
6c7e375020 Cleaned up the global damping algorithm. made sure the total gibbs free 
energy printouts are monotonically decreasing.
 2008-04-11 22:44:49 +00:00
Harry Moffat
e463b77fa2 Added an endl printing capability to writelog(). Some systems differentiate 
between endl and \n when it comes to flushing the output.
Added C++ printing utilities
 2008-04-08 20:19:26 +00:00
Harry Moffat
cd3e8d8741 Replaced a naked floating point equality check with a fuzzy check. 
This was causing problems in the optimized, DEBUG_MODE code.
 2008-03-31 23:51:41 +00:00
Harry Moffat
b7e9df3faf Reduced the print precision on an internal testing routine. 2008-03-31 21:55:09 +00:00
Harry Moffat
bb188d1fee Minor changes to beat down spurious warning messages about 
uninitialized variables, that were in fact properly initialized.
 2008-03-31 21:34:04 +00:00
Harry Moffat
60b66f18af Minor mods to 10 files, due to trying to compile on multiple 
ASC platforms. Most of the mods had to do with namespace issues.
 2008-03-04 23:40:08 +00:00
Harry Moffat
d80bb19126 Moved the use of the transport_log.xml file into the DEBUG_MODE 
capability. On certain MP platforms, the serial writing of files
may cause mp programs to hang, if multiple processors are trying
to write to the same file at the same time.
  The intermediate solution here is to stop writing from libraries
until we add MPI capabilities into Cantera.
 2008-02-18 22:16:46 +00:00
Dave Goodwin
7b179cb44f *** empty log message *** 2008-02-18 04:04:06 +00:00
Dave Goodwin
07e0713459 *** empty log message *** 2008-02-16 21:43:15 +00:00
Harry Moffat
f4512d69f8 Added more Cantera:: qualifications 2008-02-16 21:35:30 +00:00
Dave Goodwin
2c6377a6af *** empty log message *** 2008-02-16 18:44:23 +00:00
Dave Goodwin
a353e5acca *** empty log message *** 2008-02-16 16:40:55 +00:00
Dave Goodwin
9fc324754c added add_files 2008-02-16 16:38:41 +00:00
Dave Goodwin
543e73af3b *** empty log message *** 2008-02-14 04:56:48 +00:00
Dave Goodwin
cde8aa8c61 minor bugs fixed that were introduced in commit a few hrs ago 2008-02-14 04:53:00 +00:00
Dave Goodwin
4a1d303fe4 put all C++ interface code in the Cantera_CXX namespace 2008-02-14 04:37:43 +00:00
Dave Goodwin
12650d695a *** empty log message *** 2008-02-13 06:43:25 +00:00
Dave Goodwin
c90f7e9fbe *** empty log message *** 2008-02-13 06:10:50 +00:00
Harry Moffat
0dbe661bf4 Added a const FindByName function 2008-02-10 01:30:20 +00:00
Dave Goodwin
a2bb5e8135 removed old files 2008-02-09 02:55:08 +00:00
Dave Goodwin
0fc0c6e47e *** empty log message *** 2008-02-06 00:05:18 +00:00
Dave Goodwin
73bebe4768 cmake files 2008-02-05 23:36:07 +00:00
Harry Moffat
78d2c16d59 Fully qualified ThermoPhase. For some reason it now needs to be 
fully qualified.
 2008-02-04 15:50:56 +00:00
Harry Moffat
839f947258 Added a stubbin for the HKFT standard state. Not finished, or even 
started.
 2008-02-04 01:16:36 +00:00
Harry Moffat
935b0af9c0 Separated out the definition from the declarations in the templated objects. 2008-02-04 00:41:06 +00:00
Harry Moffat
990537d5f1 Added a duplicator routine. 2008-02-04 00:30:31 +00:00
Harry Moffat
dd4fb7152d Add documentation 
Moved some definitions into the .cpp file
 2008-02-03 20:59:18 +00:00
Harry Moffat
b72ca7f04a Doxygen work for PDSS 
added phaseNode XML pointer to installSpecies routines.
 2008-01-30 17:54:12 +00:00
Harry Moffat
d344208d26 Added more information to the error diagnostics for setState_HP() 
functions.
 2008-01-30 17:33:22 +00:00