[ViewVC] Log of: group/trunk/OOPSE-4/src/openbabel

Revision 3060 - Directory Listing - [select for diffs]
Modified Fri Oct 20 15:40:46 2006 UTC (19 years, 6 months ago) by gezelter
Diff to previous 3058 , to selected 2486

fixes for open babel

Revision 3058 - Directory Listing - [select for diffs]
Modified Thu Oct 19 20:50:50 2006 UTC (19 years, 6 months ago) by gezelter
Diff to previous 3057 , to selected 2486

Updating OpenBabel to version 2.0.2.  These files aren't used anymore

Revision 3057 - Directory Listing - [select for diffs]
Modified Thu Oct 19 20:49:05 2006 UTC (19 years, 6 months ago) by gezelter
Diff to previous 3056 , to selected 2486

updated OpenBabel to version 2.0.2

Revision 3056 - Directory Listing - [select for diffs]
Modified Thu Oct 19 19:51:34 2006 UTC (19 years, 6 months ago) by gezelter
Diff to previous 2984 , to selected 2486

Slight changes to oopseformat to allow importing of openbabel's
perceived atom types into OOPSE md files

Revision 2984 - Directory Listing - [select for diffs]
Modified Wed Aug 30 21:04:04 2006 UTC (19 years, 8 months ago) by gezelter
Diff to previous 2982 , to selected 2486

Changing utility programs to use the new file format

Revision 2982 - Directory Listing - [select for diffs]
Modified Wed Aug 30 18:42:29 2006 UTC (19 years, 8 months ago) by tim
Diff to previous 2970 , to selected 2486

Massive changes preparing for release of OOPSE-4: The main difference
is that the new MD file format (.md, .dump, .eor) now contains meta-data
information along with the configuration information.

Revision 2970 - Directory Listing - [select for diffs]
Modified Wed Aug 2 19:40:39 2006 UTC (19 years, 9 months ago) by gezelter
Diff to previous 2518 , to selected 2486

starting change of file formats

Revision 2518 - Directory Listing - [select for diffs]
Modified Fri Dec 16 21:52:50 2005 UTC (20 years, 5 months ago) by tim
Diff to previous 2508 , to selected 2486

changed __FUNCTION__ to __func__ to match C99 standard, and then added
an autoconf test to check for __func__ usability.  Changed some default
compile flags for the Sun architecture

Revision 2508 - Directory Listing - [select for diffs]
Modified Mon Dec 12 19:32:50 2005 UTC (20 years, 5 months ago) by gezelter
Diff to previous 2486

made some minor changes to allow compilation with the portland group
compilers

Revision 2486 - Directory Listing - [selected]
Modified Mon Dec 5 21:45:27 2005 UTC (20 years, 5 months ago) by chuckv
Diff to previous 2477

Fixed build bug in openbabel.

Revision 2477 - Directory Listing - [select for diffs]
Modified Fri Dec 2 20:11:25 2005 UTC (20 years, 5 months ago) by gezelter
Diff to previous 2469 , to selected 2486

Errors are no longer thrown with consts (fixes compilation bug on the Mac).

Revision 2469 - Directory Listing - [select for diffs]
Modified Fri Dec 2 15:38:03 2005 UTC (20 years, 5 months ago) by tim
Diff to previous 2466 , to selected 2486

End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser

Revision 2466 - Directory Listing - [select for diffs]
Modified Wed Nov 23 01:05:59 2005 UTC (20 years, 5 months ago) by chuckv
Diff to previous 2458 , to selected 2486

Changed file names that conflict w/ oopse file name object files.

Revision 2458 - Directory Listing - [select for diffs]
Modified Fri Nov 18 20:17:38 2005 UTC (20 years, 5 months ago) by tim
Diff to previous 2455 , to selected 2486

adding support for soft linking

Revision 2455 - Directory Listing - [select for diffs]
Modified Fri Nov 18 16:38:34 2005 UTC (20 years, 5 months ago) by tim
Diff to previous 2454 , to selected 2486

rename mdinConverter to atom2mdin

Revision 2454 - Directory Listing - [select for diffs]
Modified Thu Nov 17 20:44:41 2005 UTC (20 years, 5 months ago) by gezelter
Diff to previous 2450 , to selected 2486

fixed a bug

Revision 2450 - Directory Listing - [select for diffs]
Modified Thu Nov 17 20:38:45 2005 UTC (20 years, 5 months ago) by gezelter
Diff to previous 2445 , to selected 2486

Unifying config.h stuff and making sure the OpenBabel codes can find
our default (and environment variable) Force Field directories.

Revision 2445 - Directory Listing - [select for diffs]
Modified Wed Nov 16 21:22:51 2005 UTC (20 years, 6 months ago) by tim
Diff to previous 2440 , to selected 2486

adding more readers/writers

Revision 2440 - Directory Listing - [select for diffs]
Added Wed Nov 16 19:42:11 2005 UTC (20 years, 6 months ago) by tim
Diff to selected 2486

adding openbabel

Convenience Links