[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, 10 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, 10 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, 10 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, 10 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, 11 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, 11 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 (19 years 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, 8 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, 8 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, 8 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, 8 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, 8 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, 9 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, 9 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, 9 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, 9 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, 9 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, 9 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, 9 months ago) by tim

adding openbabel

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