Harry Moffat
6ed3863af4
Added new test directories.
2006-10-20 21:43:47 +00:00
Harry Moffat
6654105bb5
Added an Id stamp.
2006-10-20 21:42:37 +00:00
Harry Moffat
d822a62476
Fixed an error in the LogGroup system.
2006-10-20 21:41:54 +00:00
Harry Moffat
a9053bfd50
eliminated an unused variable.
2006-10-20 21:40:40 +00:00
Harry Moffat
240c93ff4f
Reworking of the solver algorithm within ChemEquil:
...
Much of the algorithm for relaxing the element potentials
to equilibrium employs the Brinkley algorithm (const T, P)
(p. 129 Smith and Missen). This algorithm does better at
relaxing the system towards steady state from a bad initial
guess.
The old algorithm now does the last little bit and it does
the calculation for fixed pairs other than const T, P, using
the Brinkley algorithm's initial guess.
Modified the damping algorithm in the old method. It now doesn't
create false convergence failures when it is close to the
end of the calculation.
The new solver has been tested against a matrix of initial conditions
for the gri30 mechanism and a 200 species jp8 mechanism.
Yet to do:
This routine should work but has not been checked out against:
phases with electric charge
nonideal phases.
This routine should probably not yet work with
molality based phases.
More work may have to be done with the Brinkley algorithm for
problems which suffer from stoichiometric constraints. A full
Gauss-Jordon elimination step should probably be added to
flag cases where there are effective stoichiometric constraints.
2006-10-20 21:34:00 +00:00
Harry Moffat
653e9fac7a
Added more error control and checking. This is needed for new
...
test problems.
2006-10-20 21:22:30 +00:00
Harry Moffat
3ce657f0c7
Added a couple of comments.
2006-10-20 21:20:27 +00:00
Harry Moffat
ea76725720
Change to the function getElementPotentials(). It now returns a
...
boolean to indicate whether the object has element potentials or not.
2006-10-20 21:19:35 +00:00
Harry Moffat
7a5c817597
Change to setToEquilState() to guard against inf results.
2006-10-20 21:17:12 +00:00
Harry Moffat
18152a04b3
Added another test program for the element potential equilibrium
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solver.
This test does a matrix of T, pres, and mixture fraction for the
gri30 mechanism. It does a total of 1500 calculation starting from
a bad initial guess.
2006-10-20 21:12:45 +00:00
Harry Moffat
0fcd46a958
Added another test for the element potential equilibrium solver.
...
This test covers all pair options.
2006-10-20 21:09:58 +00:00
Harry Moffat
4ae8bb73c2
Changed the blessed file: printout has changed.
2006-10-20 21:06:42 +00:00
Dave Goodwin
10add09884
initial import
2006-10-10 16:02:57 +00:00
Harry Moffat
601abe3feb
Added a file to the installed demo/cxx directory. It was needed so that
...
the cxx files would compile out of the box.
2006-10-02 22:24:51 +00:00
Harry Moffat
eb129e8f00
In the init() routine, I set the initial mass fraction vector so that
...
it sums to one. Previously, it was set uniformly to zero. The mass
fraction of species 0 is set to 1.
This was noticed by a user, and may have resulted in seg faults before
the ThermoPhase object was properly initialized.
2006-10-02 19:10:53 +00:00
Harry Moffat
9568195dec
Fixed the Makefile that gets used in the install directories.
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autoconf variables needed updating.
2006-10-02 16:38:09 +00:00
Harry Moffat
aa3e8cf53b
Fixed an error for zero length files.
2006-08-29 16:49:54 +00:00
Harry Moffat
3d9f85cf09
Added default column titles, if none are supplied in the file.
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This avoids a seg fault.
2006-08-28 00:19:31 +00:00
Harry Moffat
7cc5928762
Changed a few of the install commands to install_tsc (time step check).
...
These are needed in a few places so make doesn't do any extra work
when it doesn't need to.
Changed a few of the "install multiple files at once" cases into
installations where one file is installed at a time. Some install
commands, including the one that comes with cantera can only
install one file at a time.
2006-08-22 00:38:08 +00:00
Harry Moffat
16544ffa05
Used the INSTALL_VERBOSE rule to check whether install can use
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the -v flag. If it can't echo is used to mimic its behavior.
2006-08-22 00:34:13 +00:00
Harry Moffat
bed3b3c352
Installed a rule to check if the install command uses the flag -v.
...
I found an openbsd system where this was not the case.
2006-08-22 00:31:42 +00:00
Harry Moffat
8996287691
Added user directory to a lot of the rules.
...
Took out the cads directory.
2006-08-21 16:44:02 +00:00
Harry Moffat
d6f22fc5e5
Added an install rule to the Makefile
2006-08-21 16:42:16 +00:00
Harry Moffat
e46567e0fa
Added depends include at the end of the file.
2006-08-20 00:18:27 +00:00
Harry Moffat
6f0081ec29
Fixed clean rules.
2006-08-20 00:17:06 +00:00
Harry Moffat
d50449e4fa
Added a file.
2006-08-20 00:14:38 +00:00
Harry Moffat
8697799c53
Changed the name of the input routine to gri.xml from gri.ctml.
...
This test is always run, so it must be run even if minimal python
installation isn't done. Therefore, xml files must be used as input.
2006-08-20 00:13:21 +00:00
Harry Moffat
518513025c
Fixed the name of some environmental variables
2006-08-20 00:11:07 +00:00
Harry Moffat
ba1b00477d
Changed the #ifdef name
2006-08-20 00:09:08 +00:00
Harry Moffat
5f7d179929
Refined the regression test slightly, to make it less stringent.
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Added to make clean rule
2006-08-20 00:00:59 +00:00
Harry Moffat
90544553e1
Fixed warning messages and added to make clean rule
2006-08-19 23:54:37 +00:00
Harry Moffat
030e1cfe6b
Got rid of warning messages and added to make clean rule
2006-08-19 23:52:21 +00:00
Harry Moffat
3590c3ce52
Added to the make clean rule
2006-08-19 23:48:39 +00:00
Harry Moffat
cb83425e34
Added a directory.
2006-08-19 18:15:29 +00:00
Harry Moffat
e66a46130a
Added some comments about a particular problem on old solaris systems.
2006-08-19 18:14:16 +00:00
Harry Moffat
e67f5e4fa4
Eliminated an ld warning by setting a local variable as static.
2006-08-19 18:13:40 +00:00
Harry Moffat
9d6b4258d9
Fixed an optimization compiler warning about a possible uninitialized variable.
2006-08-19 16:08:03 +00:00
Harry Moffat
3b529d293a
Added lines to remove a temporary file f90out
2006-08-17 16:24:58 +00:00
Harry Moffat
eeee955d21
Took out a Makefile creation rule that was a duplicate.
2006-08-17 15:46:43 +00:00
Harry Moffat
b0d850543b
Added a few misc files.
2006-08-17 15:38:50 +00:00
Harry Moffat
a4059279f1
Made these two files compatible, so that there would be no confusion.
...
Changed the logical definition, which wasn't being used, to int from long int.
2006-08-15 23:36:47 +00:00
Harry Moffat
474f8dd641
A couple of directories were left out of the clean and depends rules.
2006-08-15 22:33:51 +00:00
Harry Moffat
f27229c96c
On Sun10, the cantera install is used. It only accepts one file at a time.
2006-08-15 22:03:37 +00:00
Harry Moffat
01dc3cf915
This change is needed in order for clean to work in some cases.
2006-08-15 21:59:24 +00:00
Harry Moffat
412aeabfb4
added .depends to the list of dependencies.
2006-08-15 21:38:54 +00:00
Harry Moffat
d424e7a7a0
Fixed some small errors in the install process.
2006-08-15 01:12:44 +00:00
Harry Moffat
44dd5972a7
Fixed an error in a Makefile.
2006-08-14 22:53:58 +00:00
Harry Moffat
2bbf07909e
Fixed a make clean rule in ext/cvode
2006-08-14 22:01:37 +00:00
Harry Moffat
36993a1246
Added DEBUG_MODE flag to compilation line.
2006-08-14 21:00:14 +00:00
Harry Moffat
51156a44ca
Added DEGUG_MODE to the defaults.
2006-08-14 20:54:38 +00:00
