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