[ViewVC] Log of: OpenMD/trunk/src/openbabel

Revision 1084 - Directory Listing - [select for diffs]
Modified Fri Oct 20 15:40:46 2006 UTC (18 years, 8 months ago) by gezelter
Diff to previous 1082

fixes for open babel

Revision 1082 - Directory Listing - [select for diffs]
Modified Thu Oct 19 20:50:50 2006 UTC (18 years, 9 months ago) by gezelter
Diff to previous 1081

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

Revision 1081 - Directory Listing - [select for diffs]
Modified Thu Oct 19 20:49:05 2006 UTC (18 years, 9 months ago) by gezelter
Diff to previous 1080

updated OpenBabel to version 2.0.2

Revision 1080 - Directory Listing - [select for diffs]
Modified Thu Oct 19 19:51:34 2006 UTC (18 years, 9 months ago) by gezelter
Diff to previous 1026

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

Revision 1026 - Directory Listing - [select for diffs]
Modified Wed Aug 30 21:04:04 2006 UTC (18 years, 10 months ago) by gezelter
Diff to previous 1024

Changing utility programs to use the new file format

Revision 1024 - Directory Listing - [select for diffs]
Modified Wed Aug 30 18:42:29 2006 UTC (18 years, 10 months ago) by tim
Diff to previous 1021

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 1021 - Directory Listing - [select for diffs]
Modified Wed Aug 2 19:40:39 2006 UTC (18 years, 11 months ago) by gezelter
Diff to previous 819

starting change of file formats

Revision 819 - Directory Listing - [select for diffs]
Modified Fri Dec 16 21:52:50 2005 UTC (19 years, 7 months ago) by tim
Diff to previous 809

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 809 - Directory Listing - [select for diffs]
Modified Mon Dec 12 19:32:50 2005 UTC (19 years, 7 months ago) by gezelter
Diff to previous 787

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

Revision 787 - Directory Listing - [select for diffs]
Modified Mon Dec 5 21:45:27 2005 UTC (19 years, 7 months ago) by chuckv
Diff to previous 778

Fixed build bug in openbabel.

Revision 778 - Directory Listing - [select for diffs]
Modified Fri Dec 2 20:11:25 2005 UTC (19 years, 7 months ago) by gezelter
Diff to previous 770

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

Revision 770 - Directory Listing - [select for diffs]
Modified Fri Dec 2 15:38:03 2005 UTC (19 years, 7 months ago) by tim
Diff to previous 767

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

Revision 767 - Directory Listing - [select for diffs]
Modified Wed Nov 23 01:05:59 2005 UTC (19 years, 7 months ago) by chuckv
Diff to previous 759

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

Revision 759 - Directory Listing - [select for diffs]
Modified Fri Nov 18 20:17:38 2005 UTC (19 years, 8 months ago) by tim
Diff to previous 756

adding support for soft linking

Revision 756 - Directory Listing - [select for diffs]
Modified Fri Nov 18 16:38:34 2005 UTC (19 years, 8 months ago) by tim
Diff to previous 755

rename mdinConverter to atom2mdin

Revision 755 - Directory Listing - [select for diffs]
Modified Thu Nov 17 20:44:41 2005 UTC (19 years, 8 months ago) by gezelter
Diff to previous 751

fixed a bug

Revision 751 - Directory Listing - [select for diffs]
Modified Thu Nov 17 20:38:45 2005 UTC (19 years, 8 months ago) by gezelter
Diff to previous 746

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

Revision 746 - Directory Listing - [select for diffs]
Modified Wed Nov 16 21:22:51 2005 UTC (19 years, 8 months ago) by tim
Diff to previous 741

adding more readers/writers

Revision 741 - Directory Listing - [select for diffs]
Added Wed Nov 16 19:42:11 2005 UTC (19 years, 8 months ago) by tim

adding openbabel

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