Commit Graph

17 Commits

Author SHA1 Message Date
Greg Landrum
e08e0d16d8 first pass, using google style 2015-11-14 14:58:11 +01:00
Brian Kelley
fb84c9f0b7 Switches to URANGE_CHECK when appropriate 2015-10-18 21:14:02 -04:00
Greg Landrum
07078af4ca support copying ForceField objects 2015-03-11 03:06:32 +01:00
Greg Landrum
2114db0941 Fixes #204
This covers at least the specific instances from the bug report.
Still need to figure out a general way to identify these automatically
to make sure all are fixed.
2014-02-05 06:38:05 +01:00
Greg Landrum
d00ee0825d another update 2012-02-25 16:27:54 +00:00
Greg Landrum
f3fbef45c5 update copyright statements 2010-09-26 17:04:37 +00:00
Greg Landrum
ec192d981e changes to robustify (and somewhat speed up) the optimizer. These will change results 2010-02-28 13:11:34 +00:00
Greg Landrum
507d7e84e7 fix and test sf.net issue2378119 2008-12-03 19:34:55 +00:00
Greg Landrum
d70b057444 fix an inefficiency here 2008-07-16 05:46:24 +00:00
Greg Landrum
64d21b0e6a properly support FF dimensions other than 3 2008-01-04 07:22:27 +00:00
Greg Landrum
d27745cb22 Refactor to use unsigned's where appropropriate 2008-01-03 14:47:38 +00:00
Greg Landrum
3e6cb74075 cleanup and documentation changes 2007-11-14 06:09:52 +00:00
Greg Landrum
455d1a82f4 mostly refactoring. NOTE: This may not build as is. 2007-11-09 17:31:45 +00:00
Greg Landrum
74ee13bad4 remove unused code 2006-10-29 06:59:45 +00:00
Santosh Putta
467b0873d2 Forcefield no longer relies on Point3D - it is assumed to work with the base class Point. A new data member d_dimension keep track of what dimension we live in 2006-10-19 23:25:29 +00:00
Greg Landrum
5d03333c22 setup svn keywords (should have done this before import... grn) 2006-05-06 22:54:39 +00:00
Greg Landrum
75a79b6327 initial import 2006-05-06 22:20:08 +00:00