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49 commits

Author SHA1 Message Date
Ray Speth
1cd82d40af Remove 'SQUARE' and 'DSIGN' macros 2014-07-25 18:32:29 +00:00
Ray Speth
83e38480d6 Throw exceptions instead of calling std::exit after an error 
By throwing an exception, Cantera is better behaved when used within other
applications, e.g. as in the case of the Matlab and Python interfaces.
 2014-06-06 00:17:58 +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
b5396837b2 Make use of std::min, std::max, and clip 2014-06-03 16:52:43 +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
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
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
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
44e7dd91ad [Equil] Eliminate 'mlequ' and 'gaussj' in favor of using LAPACK 2014-05-21 16:35:02 +00:00
Ray Speth
54ded64e4b Miscellaneous whitespace cleanup 2014-05-08 23:01:12 +00:00
Ray Speth
6f8da1a27e Fix 'unused variable' warnings 2014-02-21 19:08:33 +00:00
Ray Speth
f61cbeafcb [Equil] Fix infinite loop in VCS equilibrium solver 
The threshold being removed here was introduced in r714, which was merged into
trunk in r1115.

Fixes Issue 113.
 2013-08-23 17:43:44 +00:00
Ray Speth
d253fc0d63 Eliminate redundant standard library includes 2013-06-05 17:08:13 +00:00
Ray Speth
7d79b30c27 Removed unnecessary MIN and MAX macros 2013-04-29 18:05:10 +00:00
Ray Speth
30b01ab8fd Cleaned up Doxygen documentation for class VCS_SOLVE 2013-04-18 22:07:59 +00:00
Harry Moffat
cd387a15d7 Fixed an error due to negative size_t values 2013-04-03 19:26:58 +00:00
Harry Moffat
94cb8cbb65 Fixed printout issues for interfacial voltage variables in equilibrium solver. 
Added a global variable to indicate debug mode.
 2013-03-26 02:26:35 +00:00
Ray Speth
934010136d Removed unnecessary temporaries used for storing return values 2013-02-14 01:04:07 +00:00
Ray Speth
e04e59cdd3 Removed extraneous parentheses around arguments to 'return' 
'return' is a keyword, not a function, so these parens are unnecessary.
 2013-02-14 01:03:48 +00:00
Ray Speth
7da738d238 Re-applied consistent formatting to trunk 
Applied using: astyle -n --style=kr --add-brackets --indent=spaces=4
--indent-col1-comments --unpad-paren --pad-header --align-pointer=type
--lineend=linux
 2013-02-07 23:40:59 +00:00
Harry Moffat
ea25de7fe7 Continuing transfering LiquidTransport changes, doing bugfixes, and 
qualifying against our testsuite.
 2012-12-15 00:49:14 +00:00
Harry Moffat
c6f7abbf2f Fixed a serious error in InterfaceKinetics that had crept into this branch. 
Started upgrade/update of equilibrium solver
       - Fixed numerical jacobian calculation of the ln activity coefficients.
 2012-11-29 02:18:05 +00:00
Victor Brunini
7c70568bb3 Clean up compiler warnings. 2012-11-07 21:08:56 +00:00
Ray Speth
85d9d360c7 Fixed a bunch of spelling issues 2012-08-17 16:43:34 +00:00
Ray Speth
119cf8f5f4 VCS solver now uses normal CanteraError exceptions 2012-08-08 22:17:15 +00:00
Ray Speth
a16d56a637 Fixed some spelling errors 2012-06-22 22:36:15 +00:00
Ray Speth
0f04aaf0be Updated documentation to resolve some Doxygen warnings 2012-06-14 21:06:30 +00:00
Ray Speth
9b2d97f41e Fixed some compiler warnings 2012-05-25 23:13:18 +00:00
Harry Moffat
25ba149aab Sorry for monolithic commit. Will break it up in the future. 
Moved the external libraries to separate library files so that libcantera.a just contains its own namespace externals.

Fixed several errors in the equilibrium program that occurred during the port. (int to size_t issues).

Moved some equilibrium program headers to the include file system, so that it can link with equilibrium program.

Worked on Cantera.mak. Needs more work.

Fixed an issue with the Residual virtual base classes within numerics. They didn't inherit due to int to size_t migration. This caused numerous test problems to fail (issue with backwards compatibility - do we want it and how much do we want?).

Added csvdiff back so that it's available for shell environment runtests.
 2012-04-05 00:24:31 +00:00
Ray Speth
d16f70ab44 Fixed some spelling issues 2012-04-04 18:44:24 +00:00
Ray Speth
950ebbb2ca Fixed a malformed format string in vcs_solve_TP 
This was causing intermittent test failures in the VCS regression
test.
 2012-03-09 22:58:53 +00:00
Ray Speth
3bff32dd55 Fixed problems that generated warnings with the Intel compiler 2012-03-07 00:51:13 +00:00
Ray Speth
657ed19371 Fixed warnings related to printf/sprintf 2012-02-28 19:02:00 +00:00
Ray Speth
8bce9d7332 Fixed compiler warnings revealed by MinGW 2012-02-27 18:14:43 +00:00
Ray Speth
28270820a5 Use std::swap instead of homegrown alternatives 2012-02-21 16:05:53 +00:00
Ray Speth
35429de71c Fixed a bunch of spelling errors in the documentation and comments 2012-02-21 16:04:09 +00:00
Ray Speth
30d233474a Use std::min and std::max instead of preprocessor macros 2012-02-21 16:03:09 +00:00
Ray Speth
e8b04fb2b4 Fixed numerous compiler warnings from MSVC 2012-02-17 20:29:10 +00:00
Ray Speth
9bc4a261c7 Fixed a bunch of GCC warnings 2012-02-15 20:28:08 +00:00
Ray Speth
a310345b9e Updated #includes to reflect new header file locations 2012-02-12 02:44:14 +00:00
Ray Speth
2528df0f75 Reorganized source tree structure 
These changes make it unnecessary to copy header files around during
the build process, which tends to confuse IDEs and debuggers. The
headers which comprise Cantera's external C++ interface are now in
the 'include' directory.

All of the samples and demos are now in the 'samples' subdirectory.
 2012-02-12 02:27:14 +00:00
Renamed from Cantera/src/equil/vcs_solve_TP.cpp (Browse further)