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root/OpenMD/branches/development/src/integrators/LDForceManager.cpp
Revision 1769 - (view) (annotate) - [select for diffs]
Modified Mon Jul 9 14:15:52 2012 UTC (12 years, 9 months ago) by gezelter
File length: 17531 byte(s)
Diff to previous 1710 
Code readability updates.
Revision 1710 - (view) (annotate) - [select for diffs]
Modified Fri May 18 21:44:02 2012 UTC (12 years, 11 months ago) by gezelter
File length: 18154 byte(s)
Diff to previous 1665 
Added an adapter layer between the AtomType and the rest of the code to 
handle the bolt-on capabilities of new types. 

Fixed a long-standing bug in how storageLayout was being set to the maximum
possible value.

Started to add infrastructure for Polarizable and fluc-Q calculations.
Revision 1665 - (view) (annotate) - [select for diffs]
Modified Tue Nov 22 20:38:56 2011 UTC (13 years, 5 months ago) by gezelter
File length: 19651 byte(s)
Diff to previous 1465 
updated copyright notices
Revision 1465 - (view) (annotate) - [select for diffs]
Modified Fri Jul 9 23:08:25 2010 UTC (14 years, 9 months ago) by chuckv
File length: 19585 byte(s)
Diff to previous 1464 
Creating busticated version of OpenMD
Revision 1464 - (view) (annotate) - [select for diffs]
Modified Fri Jul 9 19:29:05 2010 UTC (14 years, 9 months ago) by gezelter
Original Path: trunk/src/integrators/LDForceManager.cpp
File length: 19585 byte(s)
Diff to previous 1442 
removing cruft (atom numbers, do_pot, do_stress) from many modules and
force managers
Revision 1442 - (view) (annotate) - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (14 years, 11 months ago) by gezelter
Original Path: trunk/src/integrators/LDForceManager.cpp
File length: 19610 byte(s)
Diff to previous 1390 
Adding property set to svn entries
Revision 1390 - (view) (annotate) - [select for diffs]
Modified Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter
Original Path: trunk/src/integrators/LDForceManager.cpp
File length: 19610 byte(s)
Diff to previous 1293 
Almost all of the changes necessary to create OpenMD out of our old
project (OOPSE-4)
Revision 1293 - (view) (annotate) - [select for diffs]
Modified Sun Sep 14 01:32:26 2008 UTC (16 years, 7 months ago) by chuckv
Original Path: trunk/src/integrators/LDForceManager.cpp
File length: 19525 byte(s)
Diff to previous 1237 
Added large quantities of code for convex hull and constant pressure langevin dynamics.
Revision 1237 - (view) (annotate) - [select for diffs]
Modified Fri Apr 18 16:55:15 2008 UTC (17 years ago) by gezelter
Original Path: trunk/src/integrators/LDForceManager.cpp
File length: 19093 byte(s)
Diff to previous 1216 
Adding iterative looping to get better estimates of friction forces
from full-step velocities
Revision 1216 - (view) (annotate) - [select for diffs]
Modified Wed Jan 23 21:22:50 2008 UTC (17 years, 3 months ago) by xsun
Original Path: trunk/src/integrators/LDForceManager.cpp
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
Original Path: trunk/src/integrators/LDForceManager.cpp
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
Original Path: trunk/src/integrators/LDForceManager.cpp
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
Original Path: trunk/src/integrators/LDForceManager.cpp
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
Original Path: trunk/src/integrators/LDForceManager.cpp
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
Original Path: trunk/src/integrators/LDForceManager.cpp
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
Original Path: trunk/src/integrators/LDForceManager.cpp
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
Original Path: trunk/src/integrators/LDForceManager.cpp
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
Original Path: trunk/src/integrators/LDForceManager.cpp
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
Original Path: trunk/src/integrators/LDForceManager.cpp
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
Original Path: trunk/src/integrators/LDForceManager.cpp
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
Original Path: trunk/src/integrators/LDForceManager.cpp
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
Original Path: trunk/src/integrators/LDForceManager.cpp
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
Original Path: trunk/src/integrators/LDForceManager.cpp
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
Original Path: trunk/src/integrators/LDForceManager.cpp
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
Original Path: trunk/src/integrators/LDForceManager.cpp
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
Original Path: trunk/src/integrators/LDForceManager.cpp
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
Original Path: trunk/src/integrators/LDForceManager.cpp
File length: 11894 byte(s) 
LangevinDynamics in progress

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