Harry Moffat
cc0b37123e
Started to work on documentation.
2011-12-02 02:31:54 +00:00
Nicholas Malaya
21960f5402
[cantera+autotools]: adding makefile.am in test_problems
2011-11-11 16:07:23 +00:00
Nicholas Malaya
abcd4fb0aa
[cantera+autotools]: adding makefile.am
2011-11-11 15:55:22 +00:00
Nicholas Malaya
68d07c5bad
[cantera+autotools]: a few more edits, adding another makefile.am in examples (which will have to be edited further downstream)
2011-11-11 00:44:27 +00:00
Nicholas Malaya
225df77f16
[cantera+autotools]: adding a few makefile.am, removing old makefile.in
2011-11-11 00:22:59 +00:00
Nicholas Malaya
02e7b06709
[cantera+autotools]: removing configure script-- configure.ac is all that is needed
2011-11-10 23:16:11 +00:00
Nicholas Malaya
157f41624a
[cantera+autotools]: adding some macros so configure script will run
2011-11-10 23:14:03 +00:00
Nicholas Malaya
5812f8675e
[cantera+autotools]: adding news, readme and authors to suppress boostrap warnings
2011-11-10 23:11:04 +00:00
Nicholas Malaya
301f2b6e10
[cantera+autotools]: leaving out doxygen until I get the build system working, will add at that time, likely in a separate ticket
2011-11-10 23:08:55 +00:00
Nicholas Malaya
1dfbe24056
[cantera autotools]: adding m4 directory
2011-11-10 23:06:28 +00:00
Nicholas Malaya
ca8b24b0ee
[cantera autotools]: adding bootstrap script to prep autoconf/autotools toolchain
2011-11-10 23:05:25 +00:00
Nicholas Malaya
09488c04d4
[cantera autotools]: populating top level directory with configure.ac and Makefile.am for autotools build (incomplete)
2011-11-10 23:01:05 +00:00
Nicholas Malaya
fb296b26c0
[cantera 1.8]: creating a cantera 1.8 branch that will be reintegrated into the trunk when autotools are working
2011-11-10 21:02:14 +00:00
Harry Moffat
8742d6addb
Added MolarityIonicVPSS to the ThermoFactory
2011-11-09 18:39:51 +00:00
Harry Moffat
5b03c282d8
Fixed an error in the install script.
2011-11-08 23:48:14 +00:00
Harry Moffat
75b3ed6ef9
Deleted a line that snuck in that caused ctft2c to not be used when it was requested to be used
2011-11-08 21:01:07 +00:00
Harry Moffat
973d1ad926
Fixed a Makefile error
2011-11-07 21:51:51 +00:00
Harry Moffat
0d0e481e2f
Added comments.
2011-11-03 20:03:23 +00:00
Harry Moffat
5f01cc30bb
Worked on MolarityIonicVPSSTP, filling it in a little bit.
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Changed GibbsExcessVPSSTP so that getLnActivityCoefficient() is central.
The straight activity coefficients may not be representable within
machine limits.
2011-11-01 21:09:58 +00:00
Harry Moffat
5d1e55596d
Added the RedlichKisterVPSSTP thermo model to the system.
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Fixed an error in MultiPhase that Carlos found.
2011-10-31 22:05:07 +00:00
Harry Moffat
2560431f07
Added a printTime option to writeStats() to turn off time printing
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in output files.
Started moving blocks around in configure.in, and fixed an error
that corrupted FLIBS.
2011-10-25 16:02:05 +00:00
Harry Moffat
974fecdd5a
Fixed this test case as an example.
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Took the timing out of the blessed solution
The solution stayed the same.
2011-10-25 15:57:20 +00:00
Harry Moffat
b80d34b66e
Fixed a memory leak.
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The gastran object is now officially owned by the dusty gas tran
object.
2011-10-20 17:14:57 +00:00
Harry Moffat
aa623afbd3
Fixed runtest
2011-10-20 14:51:43 +00:00
Harry Moffat
2191ad93e5
Fixed runtest
2011-10-20 14:49:19 +00:00
Harry Moffat
b9c9f81761
Made the BandMatrix class and SquareMatrix inherit from a common
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parent so that they can be used interchangeably in other software.
Removed PsuedBinaryVPSSTP in favor of MolarityIonicVPSSTP
2011-10-19 20:45:06 +00:00
Harry Moffat
0d74e7ddd0
Added namespace to get it to compile
2011-10-19 19:28:56 +00:00
Harry Moffat
695868ef38
Added namespace to get it to compile
2011-10-19 19:24:37 +00:00
Harry Moffat
8efa87d791
Added namespace to get it to compile
2011-10-19 17:11:21 +00:00
Harry Moffat
5b06c6b289
Added namespaces so that it would compile.
2011-10-19 17:05:45 +00:00
Harry Moffat
a292978c08
Added apps/lib apps/include and apps/bin to the install directory
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structure
2011-10-19 15:40:13 +00:00
Harry Moffat
e8d6649c7b
Doxygen updates
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-> Also moved implementation functions for BandMatrix into the cpp file
2011-10-13 21:16:06 +00:00
Harry Moffat
6cf9c46630
Worked on lvl 4 printouts
2011-10-10 16:51:52 +00:00
Harry Moffat
7d63cd24d4
Fixed the trust region calculation
2011-10-08 01:02:29 +00:00
Harry Moffat
a510731dca
Fixed a column scaling error for the dogleg method
2011-10-05 17:30:08 +00:00
Harry Moffat
6a3c7eabd4
Added a getMoleFraction to GibbsExcess at the start of the
...
calculation. Want the mole fraction to be synched at all times.
2011-10-04 23:33:58 +00:00
Harry Moffat
788697405f
Added documentation
2011-10-04 23:32:13 +00:00
Harry Moffat
9197a283b6
Stable intermediate step. Working on a new test problem where
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the Newton direction is fouled up by a large condition number.
2011-10-04 21:48:11 +00:00
Harry Moffat
9af9a3e702
Made the double dogleg capability operational. It can now be used by users reliably.
2011-09-29 23:11:12 +00:00
Harry Moffat
d153aa8c0a
Fixed an error in the specification of a list length.
2011-09-23 21:20:09 +00:00
Harry Moffat
d251da7a84
Revamped the rootfinder algorithm.
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Behavior is substantially different.
A summary table is now written out at the end of the solve for
some print levels.
2011-09-23 20:31:17 +00:00
Harry Moffat
445adce8fc
Doxygen changes
2011-09-21 16:40:51 +00:00
Harry Moffat
7bb60ff596
Doxygen changes.
2011-09-21 16:36:49 +00:00
Harry Moffat
fd1e408f25
Doxygen change
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Changed a function to be const
2011-09-21 16:18:26 +00:00
Harry Moffat
436bed3868
Added doxygen fixes
2011-09-21 01:03:45 +00:00
Harry Moffat
626660102c
Added a manual check for the satisfaction of Reaction Matrix's
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ability to conserve elements.
2011-09-20 23:41:17 +00:00
Harry Moffat
49ad882efc
Added derivatives of molar volume wrt T and P to the main interface.
2011-09-20 23:32:53 +00:00
Harry Moffat
cf730962a6
Protected against sundials not being compiled in
2011-09-13 23:32:29 +00:00
Harry Moffat
c58697dbd3
Replaced mlequ with gaussj full pivoting in a few spots.
...
There were no changes above numerical roundoff in the test suite.
2011-09-13 18:32:08 +00:00
Harry Moffat
b1b6dd945c
Fixed some pivoting issues in mlequ. I've encountered a stoich matrix that
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causes this routine to signal a singular matrix when it isn't.
This iteration uses a row swapping algorithm to get rid of the problem.
Next, I'll add a gauss-jordon (with full pivoting) algorithm on top
of the row swapping algorithm.
2011-09-13 17:49:33 +00:00
