Revision 1670 - (view) (annotate) - [select for diffs]
Modified Fri Jan 27 19:07:19 2012 UTC (13 years, 8 months ago) by chuckv
File length: 26934 byte(s)
Diff to previous 1622

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.

Adding repulsive power potential

Revision 1464 - (view) (annotate) - [select for diffs]
Modified Fri Jul 9 19:29:05 2010 UTC (15 years, 3 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DarkSide/MetalNonMetal.F90
File length: 24230 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 (15 years, 11 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DarkSide/MetalNonMetal.F90
File length: 24746 byte(s)
Diff to previous 1388

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

Removed remaining MPI from metallic potentials. Bug in MPI calculation of energies in Sutton-Chen.

Revision 1386 - (view) (annotate) - [select for diffs]
Modified Fri Oct 23 18:41:09 2009 UTC (16 years ago) by gezelter
Original Path: trunk/src/UseTheForce/DarkSide/MetalNonMetal.F90
File length: 24671 byte(s)
Diff to previous 1286

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++

Added support for scaled 1-2, 1-3 and 1-4 interactions.

Revision 1284 - (view) (annotate) - [select for diffs]
Modified Thu Jul 31 18:40:21 2008 UTC (17 years, 2 months ago) by gezelter
Original Path: trunk/src/UseTheForce/DarkSide/MetalNonMetal.F90
File length: 30068 byte(s)
Diff to previous 1254

fixed a strange compiler structure alignment problem with the
intel Mac compiler  (structs that cross between C and fortran
appear to need 8-byte boundary alignment on this compiler).

Removed accidental print lines.

Revision 1252 - (view) (annotate) - [select for diffs]
Modified Thu Jun 5 15:53:59 2008 UTC (17 years, 4 months ago) by chuckv
Original Path: trunk/src/UseTheForce/DarkSide/MetalNonMetal.F90
File length: 30152 byte(s)
Diff to previous 1245

Fixed typo in LJinteraction types. LJ-metal appears to work now.

Checking in changes for Hefland moment calculations

Revision 1242 - (view) (annotate) - [select for diffs]
Modified Wed May 14 14:31:48 2008 UTC (17 years, 5 months ago) by chuckv
Original Path: trunk/src/UseTheForce/DarkSide/MetalNonMetal.F90
File length: 29366 byte(s)
Diff to previous 1238

Changes....

Changing functional form

Revision 1234 - (view) (annotate) - [select for diffs]
Modified Fri Apr 11 16:21:34 2008 UTC (17 years, 6 months ago) by chuckv
Original Path: trunk/src/UseTheForce/DarkSide/MetalNonMetal.F90
File length: 28678 byte(s)
Diff to previous 1231

Fixed sign error in MnM based on atid's.

MnM interaction now works.

Revision 1229 - (view) (annotate) - [select for diffs]
Modified Mon Mar 3 17:14:37 2008 UTC (17 years, 7 months ago) by chuckv
Original Path: trunk/src/UseTheForce/DarkSide/MetalNonMetal.F90
File length: 30243 byte(s)
Diff to previous 1228

Changes to MAW. New form of the potential and cleanup.

Changes to simparalell to remove MPI stuff.

Revision 1178 - (view) (annotate) - [select for diffs]
Modified Tue Aug 14 17:41:05 2007 UTC (18 years, 2 months ago) by xsun
Original Path: trunk/src/UseTheForce/DarkSide/MetalNonMetal.F90
File length: 30124 byte(s)
Diff to previous 1176

added a check for non-initialized MnM_map

Changes to MetalnonMetal derivatives.

Revision 1175 - (view) (annotate) - [select for diffs]
Modified Thu Jul 19 19:49:38 2007 UTC (18 years, 3 months ago) by chuckv
Original Path: trunk/src/UseTheForce/DarkSide/MetalNonMetal.F90
File length: 29450 byte(s)
Diff to previous 1174

More bug fixes to Metalnonmetal.

adding MetalNonMetal interactions

Revision 1173 - (view) (annotate) - [select for diffs]
Modified Tue Jul 17 18:54:47 2007 UTC (18 years, 3 months ago) by chuckv
Original Path: trunk/src/UseTheForce/DarkSide/MetalNonMetal.F90
File length: 19342 byte(s)
Diff to previous 1168

Added more Morse and Lennard-Jones part of metal-nonmetal.

One more to add.