Harry Moffat
f46c9da1cd
Rebaselined -> changed in 5th dig due to new constants
2007-12-17 20:25:36 +00:00
Harry Moffat
7311a79ce1
Rebaselined
2007-12-17 20:24:45 +00:00
Harry Moffat
94fd3501b4
Rebaselined -> roundoff error
2007-12-17 20:22:53 +00:00
Dave Goodwin
355ef35537
updated constants to 2006 CODATA recommendations
2007-12-17 14:22:39 +00:00
Dave Goodwin
a1c481ca5a
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2007-12-17 08:18:01 +00:00
Dave Goodwin
dc94ba0dec
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2007-12-17 07:51:37 +00:00
Dave Goodwin
fbf5953af7
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2007-12-16 00:08:57 +00:00
Dave Goodwin
d971dafbff
*** empty log message ***
2007-12-15 23:32:07 +00:00
Dave Goodwin
6c894e8ebe
*** empty log message ***
2007-12-15 23:13:55 +00:00
Dave Goodwin
9d38835054
adding support for spectroscopy
2007-12-15 17:18:20 +00:00
Dave Goodwin
c438d5846f
added spectroscopy support
2007-12-15 17:15:46 +00:00
Harry Moffat
f1b29f5f06
Updated the Makefile and took out ifdefs.
2007-12-04 18:10:47 +00:00
Harry Moffat
c1f6bf0c87
Added cxx_ex test back in.
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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
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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
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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
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'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
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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
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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.
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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,
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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.
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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.
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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
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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.
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-> 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)
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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
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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
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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
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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
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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
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PITZER_TEMP_COMPLEX1 format.
2007-10-02 00:50:52 +00:00
