Commit graph

1605 commits

Author SHA1 Message Date
Harry Moffat
c1f6bf0c87 Added cxx_ex test back in.
This test had been failing. It now works due to my recent checkin.
The test is important since it seems to have coverage over areas
which aren't covered by other test problems.
2007-12-04 17:45:04 +00:00
Harry Moffat
02ff1a6071 Decreased the tolerance in the setState_UV() routine. This tolerance is
needed for the accurate calculation of Jacobians.
2007-12-04 17:37:41 +00:00
Harry Moffat
235958d810 Fixed an error in setState_UV() and similar routines that was occasionally
causing numerical errors in the calculation of Jacobians.
If the tolerances to these routines were set too low for calculation
of Jacobians, then the dt*=1.5 logic was causing the evaluation to
kick out of the routine with an incorrect deltaU value on the first
iteration. This meant that the numerically derived Jacobian entry
was off by a factor of 50%.
2007-12-04 17:34:19 +00:00
Harry Moffat
5060afcec3 Bug Fixes to ctml_writer.py. There were some undefined symbols, 'eV' and
'ElectronMass' that were causing all cti to ctml conversions processes
using python to fail.
This checkin defines these symbols. The test suite now passes.
2007-12-03 22:04:37 +00:00
Harry Moffat
310babdc20 Eliminated a doulbe addition case 2007-12-03 21:46:51 +00:00
Dave Goodwin
670502b8c2 *** empty log message *** 2007-11-27 13:26:07 +00:00
Dave Goodwin
aba8abdfa6 *** empty log message *** 2007-11-27 13:04:17 +00:00
Dave Goodwin
8ee5b76fc9 added SemiconductorPhase 2007-11-26 22:45:19 +00:00
Harry Moffat
ab100d892e Added a solver variable. 2007-11-11 23:27:06 +00:00
Dave Goodwin
9b84ab2f55 fixes to F90 interface 2007-11-10 16:31:33 +00:00
Dave Goodwin
9c8bd9a6a5 *** empty log message *** 2007-11-06 21:12:04 +00:00
Dave Goodwin
0a5c4cdc04 *** empty log message *** 2007-11-06 15:00:10 +00:00
Harry Moffat
d8bb6b7fd2 Fixed a couple of errors in the Makefiles.
Special cased lapack and blas, and took out a recursive variable defn.
2007-10-29 23:50:09 +00:00
Harry Moffat
fbc2d6e0dd Updated the test, by adding more output 2007-10-29 23:48:05 +00:00
Dave Goodwin
707bea68da *** empty log message *** 2007-10-29 14:01:42 +00:00
Dave Goodwin
a3661abdb3 fixed dependency on libctlapack and libctblas 2007-10-29 14:01:06 +00:00
Harry Moffat
6ceff256b4 These files are autogenerted during the makefile process. Therefore,
they don't need to be in the cvs system.
2007-10-28 19:08:51 +00:00
Harry Moffat
9fd97f672a Added a test CpJump that stresses the new setState_HP() algorithm.
The old undamped newton's method fails on this problem.
2007-10-26 15:38:27 +00:00
Harry Moffat
f03cc91b5c Added a test directory. 2007-10-26 15:37:25 +00:00
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
9013398978 Added generated file to the ignore list 2007-10-19 17:11:51 +00:00
Harry Moffat
ebab5dfe87 Changed the makefile to use the BUILDBIN variable. The converter
programs are no longer in ../bin.
2007-10-19 16:59:09 +00:00
Harry Moffat
40e450ca8e This is now a created file. 2007-10-19 16:54:15 +00:00
Harry Moffat
eed1a2bd5f Minor formatting changes. 2007-10-19 16:48:58 +00:00
Harry Moffat
762078d261 Added a .cvsignore file 2007-10-19 15:52:00 +00:00
Harry Moffat
414b944450 Added mkxml to the list of "made" files 2007-10-19 15:50:22 +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
821b10149e Rebaselined due to ChemEquil changes. 2007-10-12 21:33:41 +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
07ee8f5054 Rebaselined, answer changed because of change in alg. 2007-10-11 21:16:17 +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
04372ff71c Updated these tests to use new names of the DEFINES 2007-10-11 16:01:06 +00:00
Harry Moffat
6c051e7acc Added files for NASA9 parameterization of air up to 20000K. The original
data for these is in the thermo directory.
2007-10-10 15:14:10 +00:00
Harry Moffat
051e030f7f Added an example of a NASA9 data file to the Cantera distribution 2007-10-10 14:59:18 +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
44d17bd4ae Changed the xml files to be update to date with the new
PITZER_TEMP_COMPLEX1 format.
2007-10-02 00:50:52 +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
Dave Goodwin
55577aee1a initial import 2007-09-27 22:35:14 +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
c5dee4adae Added 2 new tests associated with NASA9 polynomial capability. 2007-09-13 15:12:45 +00:00
Harry Moffat
c5fe9d121f Added new directories for new test problems. 2007-09-13 15:07:13 +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
fc71293c67 Fixed linking errors on cygwin, by special casing how to handle the
declaration/definition of static variables in templatized classes.
There is an irreconcilable difference between cygwin and Solaris, that
I handled by creating a compiler define in config.h.
2007-09-12 22:09:51 +00:00