[ViewVC] Log of: OpenMD/branches/heatflux/src/UseTheForce/doForces

Revision 1682 - (view) (annotate) - [select for diffs]
Modified Tue Feb 28 23:11:22 2012 UTC (13 years, 9 months ago) by chuckv
File length: 3947 byte(s)
Diff to previous 1671

Debugging heat flux calculation for rigid bodies.

Revision 1671 - (view) (annotate) - [select for diffs]
Modified Mon Jan 30 21:31:09 2012 UTC (13 years, 10 months ago) by chuckv
File length: 3896 byte(s)
Diff to previous 1670

Adding support for atomic heat flux. Is broken w/ group based cuttoffs.
Units need to be corrected and their may be a sign error in Jv.

Revision 1670 - (view) (annotate) - [select for diffs]
Modified Fri Jan 27 19:07:19 2012 UTC (13 years, 11 months ago) by chuckv
File length: 3947 byte(s)
Diff to previous 1464

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/UseTheForce/doForces_interface.h
File length: 3947 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 (15 years, 7 months ago) by gezelter
Original Path: trunk/src/UseTheForce/doForces_interface.h
File length: 4041 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 (16 years, 1 month ago) by gezelter
Original Path: trunk/src/UseTheForce/doForces_interface.h
File length: 4041 byte(s)
Diff to previous 1386

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

Revision 1386 - (view) (annotate) - [select for diffs]
Modified Fri Oct 23 18:41:09 2009 UTC (16 years, 2 months ago) by gezelter
Original Path: trunk/src/UseTheForce/doForces_interface.h
File length: 3999 byte(s)
Diff to previous 1293

removing MPI responsibilities from the lowest level force routines.  This is
in preparation for migrating these routines (LJ, electrostatic, eam, suttonchen,
gay-berne, sticky) to C++

Revision 1293 - (view) (annotate) - [select for diffs]
Modified Sun Sep 14 01:32:26 2008 UTC (17 years, 3 months ago) by chuckv
Original Path: trunk/src/UseTheForce/doForces_interface.h
File length: 4001 byte(s)
Diff to previous 1245

Added large quantities of code for convex hull and constant pressure langevin dynamics.

Revision 1245 - (view) (annotate) - [select for diffs]
Modified Tue May 27 16:39:06 2008 UTC (17 years, 7 months ago) by chuckv
Original Path: trunk/src/UseTheForce/doForces_interface.h
File length: 3995 byte(s)
Diff to previous 1129

Checking in changes for Hefland moment calculations

Revision 1129 - (view) (annotate) - [select for diffs]
Modified Fri Apr 20 18:15:48 2007 UTC (18 years, 8 months ago) by chrisfen
Original Path: trunk/src/UseTheForce/doForces_interface.h
File length: 3962 byte(s)
Diff to previous 998

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

Revision 998 - (view) (annotate) - [select for diffs]
Modified Mon Jul 3 13:18:43 2006 UTC (19 years, 5 months ago) by chrisfen
Original Path: trunk/src/UseTheForce/doForces_interface.h
File length: 3923 byte(s)
Diff to previous 963

Added simulation box dipole moment accumulation for the purposes of calculating dielectric constants

Revision 963 - (view) (annotate) - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (19 years, 7 months ago) by tim
Original Path: trunk/src/UseTheForce/doForces_interface.h
File length: 3656 byte(s)
Diff to previous 848

Adding single precision capabilities to c++ side

Revision 848 - (view) (annotate) - [select for diffs]
Modified Wed Jan 11 23:06:08 2006 UTC (19 years, 11 months ago) by gezelter
Original Path: trunk/src/UseTheForce/doForces_interface.h
File length: 3634 byte(s)
Diff to previous 809

autoconf modernization and cruft removal

Revision 809 - (view) (annotate) - [select for diffs]
Modified Mon Dec 12 19:32:50 2005 UTC (20 years ago) by gezelter
Original Path: trunk/src/UseTheForce/doForces_interface.h
File length: 3641 byte(s)
Diff to previous 762

made some minor changes to allow compilation with the portland group
compilers

Revision 762 - (view) (annotate) - [select for diffs]
Modified Mon Nov 21 22:59:02 2005 UTC (20 years, 1 month ago) by gezelter
Original Path: trunk/src/UseTheForce/doForces_interface.h
File length: 3653 byte(s)
Diff to previous 610

Cutoff mixing fixes have been made.

Revision 610 - (view) (annotate) - [select for diffs]
Modified Sun Sep 18 20:45:38 2005 UTC (20 years, 3 months ago) by chrisfen
Original Path: trunk/src/UseTheForce/doForces_interface.h
File length: 2908 byte(s)
Diff to previous 608

reaction field seems to work now, still need to do some testing...

Revision 608 - (view) (annotate) - [select for diffs]
Modified Fri Sep 16 21:07:45 2005 UTC (20 years, 3 months ago) by chrisfen
Original Path: trunk/src/UseTheForce/doForces_interface.h
File length: 2938 byte(s)
Diff to previous 596

xlf found a bug that ifc missed...

Revision 596 - (view) (annotate) - [select for diffs]
Modified Thu Sep 15 00:13:15 2005 UTC (20 years, 3 months ago) by chrisfen
Original Path: trunk/src/UseTheForce/doForces_interface.h
File length: 2969 byte(s)
Diff to previous 580

some changes to activate the coulombicCorrection selector

Revision 580 - (view) (annotate) - [select for diffs]
Modified Tue Aug 30 18:23:50 2005 UTC (20 years, 3 months ago) by chrisfen
Original Path: trunk/src/UseTheForce/doForces_interface.h
File length: 2962 byte(s)
Diff to previous 507

made some changes for implementing the wolf potential

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/UseTheForce/doForces_interface.h
File length: 2904 byte(s)
Diff to previous 246

xemacs has been drafted to perform our indentation services

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/UseTheForce/doForces_interface.h
File length: 2905 byte(s)
Diff to previous 135

merging new_design branch into OOPSE-2.0

Revision 135 - (view) (annotate) - [select for diffs]
Modified Thu Oct 21 20:15:31 2004 UTC (21 years, 2 months ago) by gezelter
Original Path: trunk/src/UseTheForce/doForces_interface.h
File length: 983 byte(s)
Diff to previous 124

Breaky Breaky.   Fixey Fixey.

Revision 124 - (view) (annotate) - [select for diffs]
Modified Wed Oct 20 20:46:20 2004 UTC (21 years, 2 months ago) by chuckv
Original Path: trunk/src/UseTheForce/doForces_interface.h
File length: 1026 byte(s)
Diff to previous 117

Fortran/C++ interface de-obfuscation project (It is a very long story)

Revision 117 - (view) (annotate) - [select for diffs]
Added Wed Oct 20 04:19:55 2004 UTC (21 years, 2 months ago) by gezelter
Original Path: trunk/src/UseTheForce/doForces_interface.h
File length: 2692 byte(s)

Fortran name cleanup continues

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