Revision 1374 - (view) (annotate) - [select for diffs]
Modified Tue Oct 20 20:05:28 2009 UTC (15 years, 6 months ago) by chuckv
File length: 3230 byte(s)
Diff to previous 1317 , to selected 1304

Re-write of ConvexHull.

Added global variable.

Revision 1316 - (view) (annotate) - [select for diffs]
Modified Fri Nov 14 15:44:34 2008 UTC (16 years, 5 months ago) by chuckv
File length: 4059 byte(s)
Diff to previous 1308 , to selected 1304

More attempts to get SMIPD to themostat properly

Fixed Memory Leak in ConvexHull.

Revision 1307 - (view) (annotate) - [select for diffs]
Modified Mon Oct 20 19:36:32 2008 UTC (16 years, 6 months ago) by chuckv
File length: 4041 byte(s)
Diff to previous 1304

More changes to SMIPD. Attempting to find memory leak.

Fixed nanovol so it now builds.

Revision 1302 - (view) (annotate) - [select for diffs]
Modified Tue Oct 7 17:12:48 2008 UTC (16 years, 6 months ago) by chuckv
File length: 3971 byte(s)
Diff to previous 1295 , to selected 1304

Work continues on constant pressure langevin dynamics.

Case typo for Hull.hpp.

Revision 1293 - (view) (annotate) - [select for diffs]
Modified Sun Sep 14 01:32:26 2008 UTC (16 years, 7 months ago) by chuckv
File length: 3972 byte(s)
Diff to previous 1277 , to selected 1304

Added large quantities of code for convex hull and constant pressure langevin dynamics.

Changes for implementing Amber force field:  Added Inversions and
worked on BaseAtomTypes so that they'd function with the fortran side.

Revision 1242 - (view) (annotate) - [select for diffs]
Modified Wed May 14 14:31:48 2008 UTC (16 years, 11 months ago) by chuckv
File length: 3240 byte(s)
Diff to previous 1222 , to selected 1304

Changes....

Correcting a few typos

Revision 1209 - (view) (annotate) - [select for diffs]
Modified Mon Jan 21 21:50:29 2008 UTC (17 years, 3 months ago) by chuckv
File length: 3240 byte(s)
Diff to previous 1200 , to selected 1304

Build fixes for include files.

New configure

Revision 1188 - (view) (annotate) - [select for diffs]
Modified Thu Nov 22 16:39:45 2007 UTC (17 years, 5 months ago) by chuckv
File length: 3241 byte(s)
Diff to previous 1141 , to selected 1304

Added volume calculation for hull.

Fixed more bugs and removed more CGAL.

Revision 1137 - (view) (annotate) - [select for diffs]
Modified Tue May 29 22:50:14 2007 UTC (17 years, 11 months ago) by chuckv
File length: 3129 byte(s)
Diff to previous 1097 , to selected 1304

Removed CGAL from OOPSE and replaced it with qhull.

Added preliminary support for CGAL and computation of convex hull.