ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/integrators/VelocityVerletIntegrator.cpp
Revision 1338 - (view) (annotate) - [select for diffs]
Modified Thu Apr 23 18:22:30 2009 UTC (16 years ago) by skuang
File length: 8228 byte(s)
Diff to previous 1329 
Added a getStatus routine to check the temperatures
Revision 1329 - (view) (annotate) - [select for diffs]
Modified Sat Mar 14 01:23:53 2009 UTC (16 years, 1 month ago) by gezelter
File length: 8170 byte(s)
Diff to previous 1291 
Adding RNEMD
Revision 1291 - (view) (annotate) - [select for diffs]
Modified Thu Sep 11 19:40:59 2008 UTC (16 years, 7 months ago) by gezelter
File length: 7827 byte(s)
Diff to previous 1126 
Added some logic to print out a special pair distance as a column in
the stat file.  To use this feature, use taggedAtomPair = "0, 10" and
printTaggedPairDistance = "true" in the md file.  Then, the distance
between integrableObjects 0 and 10 will be computed and printed in
the stat file on each statWrite.
Revision 1126 - (view) (annotate) - [select for diffs]
Modified Fri Apr 6 21:53:43 2007 UTC (18 years ago) by gezelter
File length: 7632 byte(s)
Diff to previous 1029 
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 1029 - (view) (annotate) - [select for diffs]
Modified Thu Aug 31 22:34:49 2006 UTC (18 years, 8 months ago) by chrisfen
File length: 7359 byte(s)
Diff to previous 998 
fixes to zang writing
Revision 998 - (view) (annotate) - [select for diffs]
Modified Mon Jul 3 13:18:43 2006 UTC (18 years, 10 months ago) by chrisfen
File length: 7362 byte(s)
Diff to previous 993 
Added simulation box dipole moment accumulation for the purposes of calculating dielectric constants
Revision 993 - (view) (annotate) - [select for diffs]
Modified Thu Jun 22 15:21:01 2006 UTC (18 years, 10 months ago) by chrisfen
File length: 7197 byte(s)
Diff to previous 963 
MPI thermodynamic integration works now.
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: 7182 byte(s)
Diff to previous 777 
Adding single precision capabilities to c++ side
Revision 777 - (view) (annotate) - [select for diffs]
Modified Fri Dec 2 20:10:56 2005 UTC (19 years, 5 months ago) by gezelter
File length: 7180 byte(s)
Diff to previous 770 
Got rid of spurious printing out of timestep
Revision 770 - (view) (annotate) - [select for diffs]
Modified Fri Dec 2 15:38:03 2005 UTC (19 years, 5 months ago) by tim
File length: 7181 byte(s)
Diff to previous 749 
End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser
Revision 749 - (view) (annotate) - [select for diffs]
Modified Wed Nov 16 23:10:02 2005 UTC (19 years, 5 months ago) by tim
File length: 7238 byte(s)
Diff to previous 681 
OptionSectionParser get compiled
Revision 681 - (view) (annotate) - [select for diffs]
Modified Mon Oct 17 23:13:44 2005 UTC (19 years, 6 months ago) by tim
File length: 7185 byte(s)
Diff to previous 546 
Customized StatWriter is working
Revision 546 - (view) (annotate) - [select for diffs]
Modified Sun May 29 00:06:14 2005 UTC (19 years, 11 months ago) by tim
File length: 7803 byte(s)
Diff to previous 542 
adding resetIntegrator
Revision 542 - (view) (annotate) - [select for diffs]
Modified Sun May 22 21:36:21 2005 UTC (19 years, 11 months ago) by chuckv
File length: 7584 byte(s)
Diff to previous 541 
Fix to print pressure tensor.
Revision 541 - (view) (annotate) - [select for diffs]
Modified Sun May 22 21:05:15 2005 UTC (19 years, 11 months ago) by tim
File length: 7558 byte(s)
Diff to previous 507 
adding keyword printPressureTensor
Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
File length: 6964 byte(s)
Diff to previous 471 
xemacs has been drafted to perform our indentation services
Revision 471 - (view) (annotate) - [select for diffs]
Modified Tue Apr 12 14:24:29 2005 UTC (20 years ago) by chrisfen
File length: 6843 byte(s)
Diff to previous 417 
minor change to TI output
Revision 417 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 15:10:24 2005 UTC (20 years, 1 month ago) by chrisfen
File length: 6814 byte(s)
Diff to previous 376 
First commit of the new restraints code
Revision 376 - (view) (annotate) - [select for diffs]
Modified Thu Feb 24 20:55:07 2005 UTC (20 years, 2 months ago) by tim
File length: 6080 byte(s)
Diff to previous 335 
adding basic_teebuf which can operate on multiple stream simutaneously.
Revision 335 - (view) (annotate) - [select for diffs]
Modified Mon Feb 14 18:12:43 2005 UTC (20 years, 2 months ago) by tim
File length: 6103 byte(s)
Diff to previous 324 
fix a bug in VelocityVerletIntegrator : last frame is written twice
Revision 324 - (view) (annotate) - [select for diffs]
Modified Sun Feb 13 19:10:25 2005 UTC (20 years, 2 months ago) by tim
File length: 6133 byte(s)
Diff to previous 276 
dynamicProps get built
Revision 276 - (view) (annotate) - [select for diffs]
Modified Wed Jan 26 15:26:47 2005 UTC (20 years, 3 months ago) by tim
File length: 6406 byte(s)
Diff to previous 246 
forget to add eorWriter
Revision 246 - (view) (annotate) - [select for diffs]
Added Wed Jan 12 22:41:40 2005 UTC (20 years, 3 months ago) by gezelter
File length: 6057 byte(s) 
merging new_design branch into OOPSE-2.0

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