[ViewVC] Log of: OpenMD/branches/development/src/integrators/SMIPDForceManager.cpp

Revision 1627 - (view) (annotate) - [select for diffs]
Modified Tue Sep 13 22:05:04 2011 UTC (13 years, 7 months ago) by gezelter
File length: 8864 byte(s)
Diff to previous 1465

Splitting out ifstrstream into a header and an implementation.  This
means that much of the code that depends on it can be compiled only
once and the parallel I/O is concentrated into a few files.  To do
this, a number of files that relied on basic_ifstrstream to load the
mpi header had to be modified to manage their own headers.

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: 8826 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/SMIPDForceManager.cpp
File length: 8826 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/SMIPDForceManager.cpp
File length: 8851 byte(s)
Diff to previous 1404

Adding property set to svn entries

Revision 1404 - (view) (annotate) - [select for diffs]
Modified Fri Jan 15 20:46:49 2010 UTC (15 years, 3 months ago) by chuckv
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 8851 byte(s)
Diff to previous 1402

Cleanup of unit normal code in Triangle.cpp
SMIPD now call getUnitNormal instead of getNormal.

Revision 1402 - (view) (annotate) - [select for diffs]
Modified Fri Jan 8 17:15:27 2010 UTC (15 years, 3 months ago) by chuckv
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 8849 byte(s)
Diff to previous 1398

Added preliminary code for Alpha Hull calculation using qhull.
Added preliminary support to SMIPD to support Alpha Hull.
Alpha Hull does not yet add the correct things to triangle to be returned to SMPID. 
Preliminary changes for shadow hamiltonian integrator.
Chages to md files so they will work in openMD.

Revision 1398 - (view) (annotate) - [select for diffs]
Modified Tue Dec 8 22:17:02 2009 UTC (15 years, 4 months ago) by gezelter
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 8083 byte(s)
Diff to previous 1390

Parallel bugfix in RestraintForceManager
Reverted back to hydrodynamics on triangular plates for SMIPDForceManager
Removed thermalLength and thermalConductivity keywords from Globals.
Bug tracking in openmdformat (not yet resolved).

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/SMIPDForceManager.cpp
File length: 8487 byte(s)
Diff to previous 1377

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

Revision 1377 - (view) (annotate) - [select for diffs]
Modified Wed Oct 21 02:49:43 2009 UTC (15 years, 6 months ago) by gezelter
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 8333 byte(s)
Diff to previous 1375

fixed a bug confusing id with localID, stopped adding NULLS to triangles also.

Revision 1375 - (view) (annotate) - [select for diffs]
Modified Tue Oct 20 20:05:56 2009 UTC (15 years, 6 months ago) by chuckv
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 8478 byte(s)
Diff to previous 1357

Re-write of convex hull.

Revision 1357 - (view) (annotate) - [select for diffs]
Modified Thu Jul 23 18:49:45 2009 UTC (15 years, 9 months ago) by gezelter
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 8605 byte(s)
Diff to previous 1356

New hotness

Revision 1356 - (view) (annotate) - [select for diffs]
Modified Wed Jul 22 15:00:21 2009 UTC (15 years, 9 months ago) by gezelter
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 8756 byte(s)
Diff to previous 1355

units for thermalConductivity, spelling error fixed

Revision 1355 - (view) (annotate) - [select for diffs]
Modified Mon Jul 20 17:50:40 2009 UTC (15 years, 9 months ago) by gezelter
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 8667 byte(s)
Diff to previous 1344

Latest version of SMIPD with gamma set to thermal conductivity

Revision 1344 - (view) (annotate) - [select for diffs]
Modified Wed May 13 22:27:29 2009 UTC (15 years, 11 months ago) by gezelter
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 8268 byte(s)
Diff to previous 1325

Adding boundary element hydrodynamics to SMIPD.

Revision 1325 - (view) (annotate) - [select for diffs]
Modified Fri Dec 5 16:20:39 2008 UTC (16 years, 4 months ago) by chuckv
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 19653 byte(s)
Diff to previous 1324

Different method again for Langevin Dynamics.

Revision 1324 - (view) (annotate) - [select for diffs]
Modified Wed Nov 26 14:26:17 2008 UTC (16 years, 5 months ago) by gezelter
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 8012 byte(s)
Diff to previous 1323

Cleaning up some cruft.

Revision 1323 - (view) (annotate) - [select for diffs]
Modified Tue Nov 25 16:32:47 2008 UTC (16 years, 5 months ago) by chuckv
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 10696 byte(s)
Diff to previous 1320

Code clean-up. Removed old langevin code.

Revision 1320 - (view) (annotate) - [select for diffs]
Modified Mon Nov 24 20:25:36 2008 UTC (16 years, 5 months ago) by chuckv
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 21347 byte(s)
Diff to previous 1318

Stupid getRandomNumber return 4;

Revision 1318 - (view) (annotate) - [select for diffs]
Modified Fri Nov 14 23:16:13 2008 UTC (16 years, 5 months ago) by chuckv
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 21392 byte(s)
Diff to previous 1316

Fixed bug in variance.

Revision 1316 - (view) (annotate) - [select for diffs]
Modified Fri Nov 14 15:44:34 2008 UTC (16 years, 5 months ago) by chuckv
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 21395 byte(s)
Diff to previous 1312

More attempts to get SMIPD to themostat properly

Revision 1312 - (view) (annotate) - [select for diffs]
Modified Wed Oct 22 17:52:40 2008 UTC (16 years, 6 months ago) by chuckv
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 20373 byte(s)
Diff to previous 1308

Fixed segfault in because of directional atom in SMIPD.

Revision 1308 - (view) (annotate) - [select for diffs]
Modified Tue Oct 21 16:44:00 2008 UTC (16 years, 6 months ago) by chuckv
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 20379 byte(s)
Diff to previous 1307

Fixed Memory Leak in ConvexHull.

Revision 1307 - (view) (annotate) - [select for diffs]
Modified Mon Oct 20 19:36:32 2008 UTC (16 years, 6 months ago) by chuckv
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 20386 byte(s)
Diff to previous 1306

More changes to SMIPD. Attempting to find memory leak.

Revision 1306 - (view) (annotate) - [select for diffs]
Modified Thu Oct 16 18:25:36 2008 UTC (16 years, 6 months ago) by chuckv
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 20257 byte(s)
Diff to previous 1304

Returned old LD forces to SMIPDForceManager.

Revision 1304 - (view) (annotate) - [select for diffs]
Modified Wed Oct 15 18:26:01 2008 UTC (16 years, 6 months ago) by chuckv
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 19604 byte(s)
Diff to previous 1302

Fixed nanovol so it now builds.

Revision 1302 - (view) (annotate) - [select for diffs]
Modified Tue Oct 7 17:12:48 2008 UTC (16 years, 6 months ago) by chuckv
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 19277 byte(s)
Diff to previous 1301

Work continues on constant pressure langevin dynamics.

Revision 1301 - (view) (annotate) - [select for diffs]
Modified Fri Oct 3 17:47:08 2008 UTC (16 years, 6 months ago) by chuckv
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 20944 byte(s)
Diff to previous 1293

Fixed makefile.

Revision 1293 - (view) (annotate) - [select for diffs]
Added Sun Sep 14 01:32:26 2008 UTC (16 years, 7 months ago) by chuckv
Original Path: trunk/src/integrators/SMIPDForceManager.cpp
File length: 20785 byte(s)

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

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