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 1456 - (view) (annotate) - [select for diffs]
Modified Fri Jun 25 17:40:24 2010 UTC (15 years, 6 months ago) by gezelter
Original Path: trunk/src/visitors/AtomVisitor.cpp
File length: 5939 byte(s)
Diff to previous 1455

more changes to make Dump2XYZ do velocities & forces

Updating visitor architecture to something a bit more modern

Revision 1442 - (view) (annotate) - [select for diffs]
Modified Mon May 10 17:28:26 2010 UTC (15 years, 7 months ago) by gezelter
Original Path: trunk/src/visitors/AtomVisitor.cpp
File length: 26601 byte(s)
Diff to previous 1390

Adding property set to svn entries

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

Revision 1291 - (view) (annotate) - [select for diffs]
Modified Thu Sep 11 19:40:59 2008 UTC (17 years, 3 months ago) by gezelter
Original Path: trunk/src/visitors/AtomVisitor.cpp
File length: 26557 byte(s)
Diff to previous 1244

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.

Committing changes made to AtomVisitor to render xyz2pov scenes

Revision 1219 - (view) (annotate) - [select for diffs]
Modified Wed Jan 23 21:23:32 2008 UTC (17 years, 11 months ago) by xsun
Original Path: trunk/src/visitors/AtomVisitor.cpp
File length: 27871 byte(s)
Diff to previous 1008

new visitors for some odd molecules

Added TRED water visitor for Dump2XYZ visualization

Revision 992 - (view) (annotate) - [select for diffs]
Modified Wed Jun 21 18:28:27 2006 UTC (19 years, 6 months ago) by chrisfen
Original Path: trunk/src/visitors/AtomVisitor.cpp
File length: 17257 byte(s)
Diff to previous 989

fixed a build problem...  GB_12b_ratio no longer exists (replaced with BG_l).

output the principle axis of GB

Revision 954 - (view) (annotate) - [select for diffs]
Modified Wed May 10 01:44:48 2006 UTC (19 years, 7 months ago) by tim
Original Path: trunk/src/visitors/AtomVisitor.cpp
File length: 16115 byte(s)
Diff to previous 881

adding a gay-berne switch to Dump2XYZ

Adding visitor for GBlipid atom type

Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years, 8 months ago) by gezelter
Original Path: trunk/src/visitors/AtomVisitor.cpp
File length: 12453 byte(s)
Diff to previous 413

xemacs has been drafted to perform our indentation services

adding IndexFinder which is used to select the molecules; Seperate ElectrostaticAtomTypesSectionParser into
ChargeAtomTypesSectionParser and MultipoleAtomTypesSectionParser;remove print dipole option from Dump2XYZ;

Revision 407 - (view) (annotate) - [select for diffs]
Modified Tue Mar 8 21:07:49 2005 UTC (20 years, 9 months ago) by gezelter
Original Path: trunk/src/visitors/AtomVisitor.cpp
File length: 12561 byte(s)
Diff to previous 385

fixing a strange icc8 bug (we think).

fix compilation problem for g++ 3.4

Revision 275 - (view) (annotate) - [select for diffs]
Modified Wed Jan 26 15:15:09 2005 UTC (20 years, 11 months ago) by tim
Original Path: trunk/src/visitors/AtomVisitor.cpp
File length: 12484 byte(s)
Diff to previous 247

(1)Cast wrong atom to DirectionalAtom in GhostTorsion
(2)get the wrong column of electroframe

LinearVisitor get fixed

Revision 246 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (20 years, 11 months ago) by gezelter
Original Path: trunk/src/visitors/AtomVisitor.cpp
File length: 12422 byte(s)
Diff to previous 211

merging new_design branch into OOPSE-2.0

Added the linear visitor

Revision 132 - (view) (annotate) - [select for diffs]
Modified Thu Oct 21 16:22:01 2004 UTC (21 years, 2 months ago) by tim
Original Path: trunk/src/visitors/AtomVisitor.cpp
File length: 6239 byte(s)
Diff to previous 3

replace old GebericData with  new GenericData

change the #include in source files

Revision 2 - (view) (annotate) - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (21 years, 3 months ago) by gezelter
Original Path: trunk/src/visitors/AtomVisitor.cpp
File length: 6164 byte(s)

Import of OOPSE v. 2.0