research/cantera
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions
5055 commits 2 branches 16 tags 37 MiB
Commit graph

5055 commits

This branch
This branch
All branches
Author SHA1 Message Date
Harry Moffat
199cd4ceba Changes in InterfaceKinetics to allow for downstream hooks to add in the capability to model 
arbitrarily fit open circuit potentials for intercalating electrodes.
 2014-06-05 22:43:41 +00:00
Harry Moffat
f2130b5e3f Added a missing function 2014-06-05 22:41:55 +00:00
Harry Moffat
f3a0092b42 Fixed a error introduced by Speth that caused the brine phase pop problems to fail. 2014-06-05 22:40:20 +00:00
Ray Speth
ea3f74eb27 [Thermo] 'report' only prints species with non-trivial mole fractions 
The threshold for printing species is a new, optional parameter to the
'report' function. If any species are excluded, the total number of
minor species and their aggregate mass and mole fraction are printed.
 2014-06-03 16:54:15 +00:00
Ray Speth
dbfe428437 Fix compiler warnings 
These were mostly related to changes from r2957.
 2014-06-03 16:53:40 +00:00
Ray Speth
d38e4553ec Eliminate 'goto' in VCS_SOLVE::vcs_inest 2014-06-03 16:53:34 +00:00
Ray Speth
b5396837b2 Make use of std::min, std::max, and clip 2014-06-03 16:52:43 +00:00
Ray Speth
d3667cae3c [Doc] Fix reference that wasn't being parsed correctly 2014-06-03 16:52:22 +00:00
Ray Speth
a5d735f047 [Reactor] Disable verbose output by default, even in "debug mode" 2014-06-03 16:52:09 +00:00
Ray Speth
0e9ca0fc4b [Reactor] Eliminate tracking of Reservoirs by ReactorNet 
Since Reservoirs don't have any equations to solve, there is no reason to add
them to a ReactorNet.
 2014-06-03 16:52:00 +00:00
Ray Speth
2d1003271d [Reactor] Replace ReactorNet::m_size with m_start 
A small simplification since the offset into the global solution vector is
usually what we're interested in.
 2014-06-03 16:51:47 +00:00
Ray Speth
fb588d873b Remove deprecated / unfinished 'spectra' classes 2014-05-30 19:23:37 +00:00
Ray Speth
46a36c11cb Eliminate redundant VCS vector functions 
These functions just duplicated features of the standard library.
 2014-05-30 19:23:25 +00:00
Ray Speth
c6cefd6df8 Replace IntStarStar with Array2D 2014-05-30 19:23:16 +00:00
Ray Speth
b569b842d0 Replace DoubleStarStar with Array2D 2014-05-30 19:23:03 +00:00
Ray Speth
3e39423a42 [Doc] Fix name of 'ck2cti' in man page 2014-05-30 19:22:58 +00:00
Ray Speth
2ee3edbe39 [SCons] Move man pages to 'share' 
This fixes compatibility with Homebrew. With the default prefix '/usr/local',
this puts the man pages in /usr/local/share/man/man1/, which is usually on the
man path on other OSes as well.
 2014-05-29 18:34:49 +00:00
Ray Speth
548b5ca468 Remove cti2ctml binary 
Use of cti2ctml binary can be replaced with using ctml_writer.py script
directly.
 2014-05-29 18:34:44 +00:00
Ray Speth
f85e49a87b [Doc] Update methods for doing manual cti to ctml conversions 2014-05-29 18:34:38 +00:00
Ray Speth
f80db6c08d Make function signatures independent of DEBUG_MODE 2014-05-27 02:54:34 +00:00
Ray Speth
ddfc7db080 Make helper functions for pieces of vcs_solve_TP main loop 2014-05-27 02:54:24 +00:00
Ray Speth
ad12f392ce Some cleanup of vcs_solve_TP 
Use local variables where possible. Remove unreachable code.
Move repeated code out of if/else blocks. Flatten nested if statements.
 2014-05-27 02:54:11 +00:00
Ray Speth
32276b1fda Refactor vcs_solve_TP to eliminate goto 
This contains just the changes to the flow control to give the same
behavior as the original implementation. Additional refactoring
still to come.
 2014-05-27 02:54:07 +00:00
Ray Speth
3e3557e756 [Test] Add more tests of the VCS equilibrium solver 
These tests are based on the 'plasma_equilibrium.py' example, and include
a fairly large number of phases, some of which are only present for certain
temperature ranges.
 2014-05-27 02:54:02 +00:00
Ray Speth
40e748a2d1 Set printLvl = loglevel for VCS solver since it doesn't use loglevel 2014-05-27 02:53:47 +00:00
Ray Speth
373e4ae565 Remove goto and manual memory management from MultiPhase::equilibrate 2014-05-27 02:53:42 +00:00
Ray Speth
4b9e4da822 Fix some compiler warnings 2014-05-27 02:53:35 +00:00
Ray Speth
712293e415 Change debug code to avoid ifdefs where possible 
Use "if (DEBUG_MODE_ENABLED)" instead of "#ifdef DEBUG_MODE". This makes
it easier to see the flow control logic, and the compiler will optimize
out the always-false conditionals when DEBUG_MODE_ENABLED is 0, so there
isn't any speed penalty.
 2014-05-27 02:53:22 +00:00
Ray Speth
7ec4531ae0 Removed debugging code that didn't actually do anything 2014-05-27 02:53:16 +00:00
Ray Speth
6c0cea5ee4 Standardize function used for writing a line of repeated characters 2014-05-27 02:53:06 +00:00
Ray Speth
789574ac80 Remove commented-out code 2014-05-27 02:52:21 +00:00
Ray Speth
4dcdc01fb8 [VCS] Use local variable declarations where possible 2014-05-23 22:47:03 +00:00
Ray Speth
217b396ec5 [Python] Fix to conversion of samples from Python 3 to Python 2 
Some calls to the print function weren't being converted to print statements
correctly by 3to2, so now we use the alternative fix, which is to use the
backported print function.

Fixes Issue 216.
 2014-05-23 22:46:59 +00:00
Ray Speth
87553767d5 Eliminate 'goto' from 'isDuplicateReaction' 2014-05-21 16:35:14 +00:00
Ray Speth
90a821caf6 Eliminate 'goto' from ChemEquil::estimateEP_Brinkley 2014-05-21 16:35:09 +00:00
Ray Speth
44e7dd91ad [Equil] Eliminate 'mlequ' and 'gaussj' in favor of using LAPACK 2014-05-21 16:35:02 +00:00
Ray Speth
ef781b44e6 Restructure ChemEquil::equilibrate to eliminate 'goto' statements 2014-05-21 16:34:57 +00:00
Ray Speth
c81de1d08e Make PDSS::temperature() virtual 
This reflects how it's used, being overridden in several derived classes.
 2014-05-21 16:34:51 +00:00
Ray Speth
08e9d94ad6 [Thermo] Remove unimplemented overrides of getParameters/setParameters 2014-05-21 16:34:39 +00:00
Harry Moffat
675df76b1c Fixed a long standing problem with the combination of storred XML files and duplicator functions. 
Now the complete XML file is storred within the ThermPhase object starting with the root node.
This is needed for later processing of kinetics and transport mechanisms when the ThermoPhase
file is duplicated and the original file is deleted.

xml() is now a const function, and still returns the same pointer.
setXMLdata() is a new function will stores the xml data.
 2014-05-20 19:02:20 +00:00
Harry Moffat
b6f9009d28 Fixed a bad bug in deepStdVectorPointerCopy 2014-05-20 16:16:07 +00:00
Ray Speth
75e9d10bdf [SCons] Print path to Python interpreter when building 2014-05-08 23:02:07 +00:00
Ray Speth
f61747973c [Thermo] Extract common implementations out of PDSS descendants 
The descendants either calculate molar properties from nondimensonal properties
or vice versa. Add two derived classes to PDSS to implement these behaviors, and
have the leaf classes derive from whichever one of these makes sense.
 2014-05-08 23:01:59 +00:00
Ray Speth
0eeae5d9c0 [Thermo] Remove unnecessary manual memory management from PDSS_Water 2014-05-08 23:01:53 +00:00
Ray Speth
edaef6a0b7 [Thermo] Remove redundant methods of PDSS descendants 
The removed methods repeated the implementation of the base class.
 2014-05-08 23:01:43 +00:00
Ray Speth
7fff65cecd Remove previously-deprecated 'PrintCtrl' and 'LogPrintCtrl' classes. 2014-05-08 23:01:32 +00:00
Ray Speth
54ded64e4b Miscellaneous whitespace cleanup 2014-05-08 23:01:12 +00:00
Ray Speth
2df0396879 [ck2cti] Relax formatting requirement for Chebyshev coefficients. 
Allow coefficient data to begin on the same line as the declaration of the
order of the polynomial in each dimension.

Fixes Issue 219.
 2014-05-07 21:57:34 +00:00
Ray Speth
d6a3ea4aa7 [ck2cti] Allow stoichiometric coefficients ending in decimal points 
Fixes Issue 220.
 2014-05-07 21:57:22 +00:00
Ray Speth
c621d5f9db [SCons] Fix dependency resolution for some Python files 2014-05-07 21:56:57 +00:00