Adding experimental branch for calculation of the heatflux based on old version of OpenMD.
This will need to be ported to the development branch later.

Revision 1464 - (view) (annotate) - [select for diffs]
Modified Fri Jul 9 19:29:05 2010 UTC (15 years, 5 months ago) by gezelter
Original Path: trunk/src/integrators/LDForceManager.hpp
File length: 3814 byte(s)
Diff to previous 1442

removing cruft (atom numbers, do_pot, do_stress) from many modules and
force managers

Adding property set to svn entries

Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (16 years ago) by gezelter
Original Path: trunk/src/integrators/LDForceManager.hpp
File length: 3829 byte(s)
Diff to previous 1237

Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)

Adding iterative looping to get better estimates of friction forces
from full-step velocities

Revision 1126 - (view) (annotate) - [select for diffs]
Modified Fri Apr 6 21:53:43 2007 UTC (18 years, 8 months ago) by gezelter
Original Path: trunk/src/integrators/LDForceManager.hpp
File length: 3269 byte(s)
Diff to previous 983

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...

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 (19 years, 6 months ago) by gezelter
Original Path: trunk/src/integrators/LDForceManager.hpp
File length: 3163 byte(s)
Diff to previous 963

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).

Adding single precision capabilities to c++ side

Revision 956 - (view) (annotate) - [select for diffs]
Modified Tue May 16 02:06:37 2006 UTC (19 years, 7 months ago) by gezelter
Original Path: trunk/src/integrators/LDForceManager.hpp
File length: 3305 byte(s)
Diff to previous 945

*** empty log message ***

Adding spherical boundary conditions to LD integrator

Revision 906 - (view) (annotate) - [select for diffs]
Modified Fri Mar 17 23:20:35 2006 UTC (19 years, 8 months ago) by tim
Original Path: trunk/src/integrators/LDForceManager.hpp
File length: 3068 byte(s)
Diff to previous 895

refactor Hydrodynamics module.

LangevinDynamics in progress