Revision 1469 - (view) (annotate) - [select for diffs]
Modified Mon Jul 19 14:07:59 2010 UTC (14 years, 9 months ago) by gezelter
File length: 5148 byte(s)
Diff to previous 1465

attempts at c++->fortran linkage.  Still busticated.

Creating busticated version of OpenMD

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/Integrator.cpp
File length: 5096 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 1368 - (view) (annotate) - [select for diffs]
Modified Mon Oct 19 13:39:04 2009 UTC (15 years, 6 months ago) by skuang
Original Path: trunk/src/integrators/Integrator.cpp
File length: 5054 byte(s)
Diff to previous 1343

added RNEMD scaling

only create RNEMD object if we need it.

Revision 1330 - (view) (annotate) - [select for diffs]
Modified Thu Mar 19 21:03:36 2009 UTC (16 years, 1 month ago) by skuang
Original Path: trunk/src/integrators/Integrator.cpp
File length: 5043 byte(s)
Diff to previous 1329

Added handlers to Integrator to call RNEMD at the right times.  Added initialization
to RNEMD to make sure values from the MD file are available.

Adding RNEMD

Revision 993 - (view) (annotate) - [select for diffs]
Modified Thu Jun 22 15:21:01 2006 UTC (18 years, 10 months ago) by chrisfen
Original Path: trunk/src/integrators/Integrator.cpp
File length: 4646 byte(s)
Diff to previous 665

MPI thermodynamic integration works now.

rewrite Globals

Revision 547 - (view) (annotate) - [select for diffs]
Modified Sun May 29 00:09:13 2005 UTC (19 years, 11 months ago) by tim
Original Path: trunk/src/integrators/Integrator.cpp
File length: 4919 byte(s)
Diff to previous 546

dding resetIntegrator

adding resetIntegrator

Revision 507 - (view) (annotate) - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years ago) by gezelter
Original Path: trunk/src/integrators/Integrator.cpp
File length: 4778 byte(s)
Diff to previous 441

xemacs has been drafted to perform our indentation services

VelocityVerletIntegrator already deletes and Nullifies restWriter,
so Integrator shouldn't do it.

Revision 417 - (view) (annotate) - [select for diffs]
Modified Thu Mar 10 15:10:24 2005 UTC (20 years, 1 month ago) by chrisfen
Original Path: trunk/src/integrators/Integrator.cpp
File length: 4899 byte(s)
Diff to previous 326

First commit of the new restraints code

maximum length defaults to the cutoff radius

Revision 324 - (view) (annotate) - [select for diffs]
Modified Sun Feb 13 19:10:25 2005 UTC (20 years, 2 months ago) by tim
Original Path: trunk/src/integrators/Integrator.cpp
File length: 4430 byte(s)
Diff to previous 276

dynamicProps get built

forget to add eorWriter

Revision 246 - (view) (annotate) - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (20 years, 3 months ago) by gezelter
Original Path: trunk/src/integrators/Integrator.cpp
File length: 4430 byte(s)
Diff to previous 224

merging new_design branch into OOPSE-2.0

improved restraints

Revision 221 - (view) (annotate) - [select for diffs]
Modified Tue Nov 23 22:48:31 2004 UTC (20 years, 5 months ago) by chrisfen
Original Path: trunk/src/integrators/Integrator.cpp
File length: 19614 byte(s)
Diff to previous 214

Improvements to restraints

Commented out some write statements

Revision 204 - (view) (annotate) - [select for diffs]
Modified Thu Nov 4 16:20:55 2004 UTC (20 years, 5 months ago) by gezelter
Original Path: trunk/src/integrators/Integrator.cpp
File length: 18893 byte(s)
Diff to previous 3

Don't remember what I did

change the #include in source files

Revision 2 - (view) (annotate) - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (20 years, 7 months ago) by gezelter
Original Path: trunk/src/integrators/Integrator.cpp
File length: 18702 byte(s)

Import of OOPSE v. 2.0