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1056 commits

Author SHA1 Message Date
Harry Moffat
d76694119c Upgraded algorithm for setState_HP() and friends. 
Replaced the bare Newton's method with a root finder. This algorithm
is tolerant of step jumps in Thermo parameters at the temperature
boundaries.
The algorithm also has an initial treatment of spinodals. Basically,
if we are currently liquid, we want to stay liquid. If we are currently
gas, we want to stay gas.
 2007-10-26 15:34:49 +00:00
Harry Moffat
34e3416a4c Changes due to more testing involving UV equil runs on a NASA9 mechanism. 
-> Changed the damping strategy
  -> Upgraded the initial find-temperature strategy
  -> changed the solution tolerance requirements -> sometimes it was
          getting hung up at the end.
 2007-10-12 21:36:55 +00:00
Harry Moffat
a7eda07d3e Changed tolerances due to a user problem (involving ionized gases) 
failing.
 2007-10-11 21:17:19 +00:00
Harry Moffat
d47551a0c5 Changed the Element potential algorithm to accept temperatures that 
venture out of bounds more. There was a user issue where this cropped
up, and triggered a false convergence error.
Upped the debug printouts on this issue too.
 2007-10-11 16:03:01 +00:00
Harry Moffat
26797f4a59 Fixed an error in the entropy calculation for NASA9 polynomials. 2007-10-09 21:02:49 +00:00
Harry Moffat
5a4576a65e Fixed a bug in the conversion of files from cti to ctml format, having 
to do with NASA9 polynomials.
Added a comma to the NASA9 floatArray block.
 2007-10-09 15:23:08 +00:00
Harry Moffat
a278779178 Fixed an error that affected the calculation of transport properties 
for mechanisms with all NASA9 species. The max and min temperatures
weren't being computed, which caused NaN's to appear during the
transport property data fitting procedure.
 2007-10-06 02:24:13 +00:00
Harry Moffat
35d96f6d03 Changed the PITZER_TEMP_COMPLEX1 parameterization to use 5 coefficients 
for beta1 and 5 coefficients for beta2. They are now the same as
beta0 and Cphi.
All xml blocks using this parameterization must be modified accordingly.
 2007-10-02 00:49:55 +00:00
Harry Moffat
46324c7eea Fixed a typo 2007-09-30 15:58:56 +00:00
Harry Moffat
a97e2824fa Added an ignore file 2007-09-30 15:57:27 +00:00
Harry Moffat
a8fe60d601 Fixed a bug in reporting parameters for Nasa9MultiTempRegion 
Changed the Nasa9 reporting parameters routine to be compatible with
the multi temperature region reporting parameters.
 2007-09-14 16:05:42 +00:00
Harry Moffat
e961587418 Missed a file in the NASA9 commit of yesterday 2007-09-14 14:19:52 +00:00
Harry Moffat
7c89caa61f Added a missing file to the list of objects 2007-09-13 15:46:44 +00:00
Harry Moffat
f70c394fa6 This checkin adds the ability to read NASA9 polynomial standard states, 
with arbitrary number of temperature intervals,
to Cantera's underlying routines.

Cantera can now read fortran formatted
NASA9 polynomials to create cti files

The cti files can then be translated into xml files.

And, the xml files can now be read into constant pressure standard state
objects and used normally within the guts of Cantera.

Currently, the standard state just links into the GeneralSpeciesThermo
object, which means that it's calculation speed is slow. However, atm
this satisfies the initial use case for this new capability.

In the near future, I'll push this out to the matlab and python interfaces.
 2007-09-13 15:05:39 +00:00
Harry Moffat
b7e616a2a2 Added a config.h compiler define in, to handle incompatibilities across 
platforms.
 2007-09-12 22:10:46 +00:00
Harry Moffat
bb52a2bc61 Fixed a spelling mistake. 2007-09-11 21:00:39 +00:00
Harry Moffat
27495b4591 Added a file 2007-08-29 20:52:48 +00:00
Harry Moffat
e3d50370dd Fixed a Solaris compile issue. 
Solaris decided a declaration was actually a definition.
So, I changed the way templated static storage is declared. It
still needs to be defined once and only once on all platforms.
 2007-08-29 20:51:33 +00:00
Harry Moffat
ac36eab391 Solaris Bug fix: 
solaris complained about the overload between ioflag as a parameter
and as member data. So, I changed the member data name to m_ioflag.
 2007-08-29 19:57:48 +00:00
Harry Moffat
7b2ccd7517 Fixed another error in the make install command (that I created). 
The cantera-demos directory wasn't being populated.
 2007-08-28 22:15:16 +00:00
Harry Moffat
b14f6d3e94 Missed installing the main ctmethods* file. 
Adding it here.
 2007-08-28 18:59:01 +00:00
Harry Moffat
0ff546f855 Added tmp files to this list 2007-08-27 16:35:58 +00:00
Harry Moffat
da855b9b18 Added a .cvsignore file for this directory. Files that get created when 
the python scripts are actually run from within the directory are
added to the .cvsignore file.
 2007-08-27 16:32:51 +00:00
Harry Moffat
116756ddc5 added a file 2007-08-23 21:53:24 +00:00
Harry Moffat
60a93559af Added a capability to solve the surface pseudosteady state problem 
via a damped newton's method. It also employs a false transient
algorithm when far from the solution.
 2007-08-23 21:43:07 +00:00
Harry Moffat
12e9694043 Fixed the order of initializations so that it wouldn't produce 
a warning message.
Doxygen additions.
 2007-07-31 21:14:05 +00:00
Harry Moffat
a8d5e5a6a8 Added a m_nDim field to the base class. It seemed like the right 
place to put it. Though, it's not used atm.
 2007-07-31 21:12:36 +00:00
Harry Moffat
12a74f8acd Doxygen update - changes to comments 
made pressure_ig() a const function
 2007-07-31 21:11:08 +00:00
Harry Moffat
6b0516e54d Fixed an interface error in getSpeciesViscosities(). 
This seldom used interface function needed to ensure that update_T() is
called so that the temperature is current.
 2007-07-31 17:28:46 +00:00
Harry Moffat
36ed5b338f Changed the Makefile scripts so that INSTALL doesn't need to handle 
copying multiple files during a single invocation.
 2007-07-27 22:21:11 +00:00
Harry Moffat
1b0c396105 Added a str:: to a string parameter 2007-07-27 20:05:19 +00:00
Dave Goodwin
77a3fdbd56 *** empty log message *** 2007-07-27 03:38:23 +00:00
Dave Goodwin
a5ade5036f made some log message writing optional 2007-07-27 03:37:48 +00:00
Harry Moffat
77091ab106 Doxygen update - no code change 2007-07-27 00:32:23 +00:00
Harry Moffat
4b702bae5b Doxygen update: no code changes 
Added a cLiquidTransport for an electrolyte transport capability
  under construction
 2007-07-27 00:25:56 +00:00
Harry Moffat
be6c44da59 Doxygen update 
Documented the getSpeciesFluxes interface
  Changed a doublereal * grad_T parameter to const doublereal * grad_T
parameter.
 2007-07-27 00:09:11 +00:00
Harry Moffat
449e133e02 Took out using namespace std from a couple of .h files. 2007-07-26 21:55:32 +00:00
Harry Moffat
81af5d3a3a Fixed an error in the function setMoleFractions_NoNorm(). 
The error was introduced in v. 1.2 of this file on 5/4/07,
and lead to bad values for output mass fractions.
 2007-07-18 21:27:52 +00:00
Harry Moffat
67d7e3f290 Cropping Update 
-Did a better job at coming up with cropping strategy for molalalities
   which are used for the calculation of the activity coefficents.
   Without such a strategy, act coeffs may become unbounded and
   cause the equilibrium solver to fail.
 2007-07-18 19:27:51 +00:00
Harry Moffat
85d0d72fc9 Fixed compilation errors on solaris. 
Solaris picks up const and non-const differences between parent and
child member functions.
 2007-07-13 17:15:19 +00:00
Harry Moffat
7dc1e89be3 Fixed a compile problem that occurred on solaris 2007-07-13 16:52:18 +00:00
Harry Moffat
1b4538dd25 Fixed compilation problems on solaris 2007-07-13 15:55:45 +00:00
Harry Moffat
a78510bbc0 Added a -c to the install command. This is needed for the built-in 
install command.
 2007-07-13 14:53:51 +00:00
Harry Moffat
b3a24249b2 Added an all: rule. 2007-07-12 19:44:46 +00:00
Harry Moffat
a761c52e9a Eliminated a commented out line. 2007-07-12 19:37:37 +00:00
Harry Moffat
9e894b0f69 doxygen update 
added brackets to a module.
 2007-07-12 19:36:13 +00:00
Harry Moffat
2f017f847b Added a rm *.d to the clean rule. 2007-07-12 19:34:41 +00:00
Harry Moffat
fc1693f252 Added a rm .depends to the clean rule. 2007-07-12 19:28:05 +00:00
Harry Moffat
4f47a3457a Added a -c argument to @INSTALL@, so that the default config/install-sh 
will do a "cp" instead of a "mv".
 2007-07-12 19:26:15 +00:00
Harry Moffat
28a2e63c05 Compilation error in an optional #ifdef block. 2007-07-12 14:22:41 +00:00