[ViewVC] Log of: OpenMD/trunk/src/integrators/LDForceManager.cpp

Revision 1216 - (view) (annotate) - [select for diffs]
Modified Wed Jan 23 21:22:50 2008 UTC (17 years, 3 months ago) by xsun
File length: 15302 byte(s)
Diff to previous 1210

Fixed Langevin Dynamics and DLM

Revision 1210 - (view) (annotate) - [select for diffs]
Modified Wed Jan 23 03:45:33 2008 UTC (17 years, 3 months ago) by gezelter
File length: 17221 byte(s)
Diff to previous 1185

Removed older version of openbabel from our code.  We now have a
configure check to see if openbabel is installed and then we link to
the stuff we need.  Conversion to OOPSE's md format is handled by only
one application (atom2md), so most of the work went on there.
ElementsTable still needs some work to function in parallel.

Revision 1185 - (view) (annotate) - [select for diffs]
Modified Fri Oct 5 19:02:09 2007 UTC (17 years, 6 months ago) by xsun
File length: 17242 byte(s)
Diff to previous 1129

Fixed some bugs in LDForceManager.cpp

Revision 1129 - (view) (annotate) - [select for diffs]
Modified Fri Apr 20 18:15:48 2007 UTC (18 years ago) by chrisfen
File length: 15327 byte(s)
Diff to previous 1126

SF Lennard-Jones was added for everyones' enjoyment.  The behavior is tethered to the electrostaticSummationMethod keyword.

Revision 1126 - (view) (annotate) - [select for diffs]
Modified Fri Apr 6 21:53:43 2007 UTC (18 years ago) by gezelter
File length: 15384 byte(s)
Diff to previous 1120

Massive update to do virials (both atomic and cutoff-group) correctly.
The rigid body constraint contributions had been missing and this was
masked by the use of cutoff groups...

Revision 1120 - (view) (annotate) - [select for diffs]
Modified Fri Feb 2 18:55:21 2007 UTC (18 years, 3 months ago) by chuckv
File length: 15361 byte(s)
Diff to previous 983

Spherical boundary conditions.

Revision 983 - (view) (annotate) - [select for diffs]
Modified Tue Jun 6 17:43:28 2006 UTC (18 years, 10 months ago) by gezelter
File length: 15319 byte(s)
Diff to previous 981

testing GB, removing CM drift in Langevin Dynamics, fixing a memory
leak, adding a visitor

Revision 981 - (view) (annotate) - [select for diffs]
Modified Mon Jun 5 18:24:45 2006 UTC (18 years, 10 months ago) by gezelter
File length: 15097 byte(s)
Diff to previous 971

Massive changes for GB code with multiple ellipsoid types (a la
Cleaver's paper).

Also, changes in hydrodynamics code to make HydroProp a somewhat
smarter class (rather than just a struct).

Revision 971 - (view) (annotate) - [select for diffs]
Modified Wed May 24 16:18:00 2006 UTC (18 years, 11 months ago) by tim
File length: 18371 byte(s)
Diff to previous 970

fix a bug in parsing HydroProp file

Revision 970 - (view) (annotate) - [select for diffs]
Modified Wed May 24 15:24:52 2006 UTC (18 years, 11 months ago) by gezelter
File length: 18039 byte(s)
Diff to previous 963

Fixed a bug when spherical boundary conditions were off.

Revision 963 - (view) (annotate) - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (18 years, 11 months ago) by tim
File length: 18004 byte(s)
Diff to previous 956

Adding single precision capabilities to c++ side

Revision 956 - (view) (annotate) - [select for diffs]
Modified Tue May 16 02:06:37 2006 UTC (18 years, 11 months ago) by gezelter
File length: 17992 byte(s)
Diff to previous 945

*** empty log message ***

Revision 945 - (view) (annotate) - [select for diffs]
Modified Tue Apr 25 02:09:01 2006 UTC (19 years ago) by gezelter
File length: 13164 byte(s)
Diff to previous 909

Adding spherical boundary conditions to LD integrator

Revision 909 - (view) (annotate) - [select for diffs]
Modified Tue Mar 21 00:26:55 2006 UTC (19 years, 1 month ago) by tim
File length: 11184 byte(s)
Diff to previous 908

Fix a bug in friction calculation for ellipsoid

Revision 908 - (view) (annotate) - [select for diffs]
Modified Mon Mar 20 19:12:14 2006 UTC (19 years, 1 month ago) by tim
File length: 10704 byte(s)
Diff to previous 906

Verify the correctness of Ellipsoid's hydrodynamics properties

Revision 906 - (view) (annotate) - [select for diffs]
Modified Fri Mar 17 23:20:35 2006 UTC (19 years, 1 month ago) by tim
File length: 12251 byte(s)
Diff to previous 904

refactor Hydrodynamics module.

Revision 904 - (view) (annotate) - [select for diffs]
Modified Thu Mar 16 22:50:48 2006 UTC (19 years, 1 month ago) by tim
File length: 13095 byte(s)
Diff to previous 895

LagevinDynamics is working?

Revision 895 - (view) (annotate) - [select for diffs]
Added Mon Mar 13 22:42:40 2006 UTC (19 years, 1 month ago) by tim
File length: 11894 byte(s)

LangevinDynamics in progress

Convenience Links

Links to HEAD: (view) (annotate)

Compare Revisions

This form allows you to request diffs between any two revisions of this file. For each of the two "sides" of the diff, enter a numeric revision.

	Diffs between and
	Type of Diff should be a