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Revision 1185 - Directory Listing - [select for diffs]
Modified Fri Oct 5 19:02:09 2007 UTC (17 years, 7 months ago) by xsun
Diff to previous 1145 
Fixed some bugs in LDForceManager.cpp
Revision 1145 - Directory Listing - [select for diffs]
Modified Thu May 31 17:46:49 2007 UTC (18 years ago) by chuckv
Diff to previous 1129 
Starting NPT Langevin. Added new force manager files.
Revision 1129 - Directory Listing - [select for diffs]
Modified Fri Apr 20 18:15:48 2007 UTC (18 years, 1 month ago) by chrisfen
Diff to previous 1126 
SF Lennard-Jones was added for everyones' enjoyment.  The behavior is tethered to the electrostaticSummationMethod keyword.
Revision 1126 - Directory Listing - [select for diffs]
Modified Fri Apr 6 21:53:43 2007 UTC (18 years, 1 month ago) by gezelter
Diff to previous 1120 
Massive update to do virials (both atomic and cutoff-group) correctly.
The rigid body constraint contributions had been missing and this was
masked by the use of cutoff groups...
Revision 1120 - Directory Listing - [select for diffs]
Modified Fri Feb 2 18:55:21 2007 UTC (18 years, 3 months ago) by chuckv
Diff to previous 1079 
Spherical boundary conditions.
Revision 1079 - Directory Listing - [select for diffs]
Modified Thu Oct 19 15:57:07 2006 UTC (18 years, 7 months ago) by gezelter
Diff to previous 1032 
Added velocitizer utility program, added samples of its use to the
builder samples.
Revision 1032 - Directory Listing - [select for diffs]
Modified Fri Sep 1 19:16:02 2006 UTC (18 years, 8 months ago) by gezelter
Diff to previous 1029 
adding NgammaT integrator
Revision 1029 - Directory Listing - [select for diffs]
Modified Thu Aug 31 22:34:49 2006 UTC (18 years, 9 months ago) by chrisfen
Diff to previous 998 
fixes to zang writing
Revision 998 - Directory Listing - [select for diffs]
Modified Mon Jul 3 13:18:43 2006 UTC (18 years, 10 months ago) by chrisfen
Diff to previous 993 
Added simulation box dipole moment accumulation for the purposes of calculating dielectric constants
Revision 993 - Directory Listing - [select for diffs]
Modified Thu Jun 22 15:21:01 2006 UTC (18 years, 11 months ago) by chrisfen
Diff to previous 983 
MPI thermodynamic integration works now.
Revision 983 - Directory Listing - [select for diffs]
Modified Tue Jun 6 17:43:28 2006 UTC (18 years, 11 months ago) by gezelter
Diff to previous 981 
testing GB, removing CM drift in Langevin Dynamics, fixing a memory
leak, adding a visitor
Revision 981 - Directory Listing - [select for diffs]
Modified Mon Jun 5 18:24:45 2006 UTC (18 years, 11 months ago) by gezelter
Diff to previous 971 
Massive changes for GB code with multiple ellipsoid types (a la
Cleaver's paper).

Also, changes in hydrodynamics code to make HydroProp a somewhat
smarter class (rather than just a struct).
Revision 971 - Directory Listing - [select for diffs]
Modified Wed May 24 16:18:00 2006 UTC (19 years ago) by tim
Diff to previous 970 
fix a bug in parsing HydroProp file
Revision 970 - Directory Listing - [select for diffs]
Modified Wed May 24 15:24:52 2006 UTC (19 years ago) by gezelter
Diff to previous 963 
Fixed a bug when spherical boundary conditions were off.
Revision 963 - Directory Listing - [select for diffs]
Modified Wed May 17 21:51:42 2006 UTC (19 years ago) by tim
Diff to previous 956 
Adding single precision capabilities to c++ side
Revision 956 - Directory Listing - [select for diffs]
Modified Tue May 16 02:06:37 2006 UTC (19 years ago) by gezelter
Diff to previous 945 
*** empty log message ***
Revision 945 - Directory Listing - [select for diffs]
Modified Tue Apr 25 02:09:01 2006 UTC (19 years, 1 month ago) by gezelter
Diff to previous 927 
Adding spherical boundary conditions to LD integrator
Revision 927 - Directory Listing - [select for diffs]
Modified Fri Mar 31 18:09:22 2006 UTC (19 years, 2 months ago) by tim
Diff to previous 909 
NPrT might work now
Revision 909 - Directory Listing - [select for diffs]
Modified Tue Mar 21 00:26:55 2006 UTC (19 years, 2 months ago) by tim
Diff to previous 908 
Fix a bug in friction calculation for ellipsoid
Revision 908 - Directory Listing - [select for diffs]
Modified Mon Mar 20 19:12:14 2006 UTC (19 years, 2 months ago) by tim
Diff to previous 906 
Verify the correctness of Ellipsoid's hydrodynamics properties
Revision 906 - Directory Listing - [select for diffs]
Modified Fri Mar 17 23:20:35 2006 UTC (19 years, 2 months ago) by tim
Diff to previous 904 
refactor Hydrodynamics module.
Revision 904 - Directory Listing - [select for diffs]
Modified Thu Mar 16 22:50:48 2006 UTC (19 years, 2 months ago) by tim
Diff to previous 895 
LagevinDynamics is working?
Revision 895 - Directory Listing - [select for diffs]
Modified Mon Mar 13 22:42:40 2006 UTC (19 years, 2 months ago) by tim
Diff to previous 777 
LangevinDynamics in progress
Revision 777 - Directory Listing - [select for diffs]
Modified Fri Dec 2 20:10:56 2005 UTC (19 years, 5 months ago) by gezelter
Diff to previous 770 
Got rid of spurious printing out of timestep
Revision 770 - Directory Listing - [select for diffs]
Modified Fri Dec 2 15:38:03 2005 UTC (19 years, 5 months ago) by tim
Diff to previous 749 
End of the Link --> List
Return of the Oject-Oriented
replace yacc/lex parser with antlr parser
Revision 749 - Directory Listing - [select for diffs]
Modified Wed Nov 16 23:10:02 2005 UTC (19 years, 6 months ago) by tim
Diff to previous 705 
OptionSectionParser get compiled
Revision 705 - Directory Listing - [select for diffs]
Modified Tue Nov 1 19:14:27 2005 UTC (19 years, 6 months ago) by chrisfen
Diff to previous 681 
fixed a capitalization problem with NPT integrator initialization
Revision 681 - Directory Listing - [select for diffs]
Modified Mon Oct 17 23:13:44 2005 UTC (19 years, 7 months ago) by tim
Diff to previous 665 
Customized StatWriter is working
Revision 665 - Directory Listing - [select for diffs]
Modified Thu Oct 13 22:26:47 2005 UTC (19 years, 7 months ago) by tim
Diff to previous 622 
rewrite Globals
Revision 622 - Directory Listing - [select for diffs]
Modified Thu Sep 22 00:08:03 2005 UTC (19 years, 8 months ago) by chuckv
Diff to previous 621 
Removed print statement for angular momentum and inertia tensor from velocitizer.
Revision 621 - Directory Listing - [select for diffs]
Modified Thu Sep 22 00:04:56 2005 UTC (19 years, 8 months ago) by chuckv
Diff to previous 557 
Removed print statements for remove angular momentum.
Revision 557 - Directory Listing - [select for diffs]
Modified Tue May 31 22:31:54 2005 UTC (20 years ago) by chuckv
Diff to previous 555 
Changes to remove angular momentum.
Revision 555 - Directory Listing - [select for diffs]
Modified Mon May 30 14:01:52 2005 UTC (20 years ago) by chuckv
Diff to previous 547 
Added method to remove system angular momentum to velocitizer and added method to calculate system angular momentum to siminfo.
Revision 547 - Directory Listing - [select for diffs]
Modified Sun May 29 00:09:13 2005 UTC (20 years ago) by tim
Diff to previous 546 
dding resetIntegrator
Revision 546 - Directory Listing - [select for diffs]
Modified Sun May 29 00:06:14 2005 UTC (20 years ago) by tim
Diff to previous 542 
adding resetIntegrator
Revision 542 - Directory Listing - [select for diffs]
Modified Sun May 22 21:36:21 2005 UTC (20 years ago) by chuckv
Diff to previous 541 
Fix to print pressure tensor.
Revision 541 - Directory Listing - [select for diffs]
Modified Sun May 22 21:05:15 2005 UTC (20 years ago) by tim
Diff to previous 540 
adding keyword printPressureTensor
Revision 540 - Directory Listing - [select for diffs]
Modified Fri May 20 19:27:03 2005 UTC (20 years ago) by tim
Diff to previous 539 
NPrT in progress
Revision 539 - Directory Listing - [select for diffs]
Modified Fri May 20 16:01:38 2005 UTC (20 years ago) by tim
Diff to previous 538 
NPrT in progress
Revision 538 - Directory Listing - [select for diffs]
Modified Thu May 19 21:31:23 2005 UTC (20 years ago) by tim
Diff to previous 537 
NPAT is working
Revision 537 - Directory Listing - [select for diffs]
Modified Thu May 19 15:49:53 2005 UTC (20 years ago) by tim
Diff to previous 536 
fix bug in NPAT and NPrT
Revision 536 - Directory Listing - [select for diffs]
Modified Thu May 19 04:28:26 2005 UTC (20 years ago) by tim
Diff to previous 507 
adding NPAT and NPrT integrators
Revision 507 - Directory Listing - [select for diffs]
Modified Fri Apr 15 22:04:00 2005 UTC (20 years, 1 month ago) by gezelter
Diff to previous 471 
xemacs has been drafted to perform our indentation services
Revision 471 - Directory Listing - [select for diffs]
Modified Tue Apr 12 14:24:29 2005 UTC (20 years, 1 month ago) by chrisfen
Diff to previous 441 
minor change to TI output
Revision 441 - Directory Listing - [select for diffs]
Modified Tue Mar 15 14:21:31 2005 UTC (20 years, 2 months ago) by gezelter
Diff to previous 417 
VelocityVerletIntegrator already deletes and Nullifies restWriter,
so Integrator shouldn't do it.
Revision 417 - Directory Listing - [select for diffs]
Modified Thu Mar 10 15:10:24 2005 UTC (20 years, 2 months ago) by chrisfen
Diff to previous 393 
First commit of the new restraints code
Revision 393 - Directory Listing - [select for diffs]
Modified Wed Mar 2 16:28:20 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 392 
info_ in Velocitizer is not initialized which causes a seg fault
Revision 392 - Directory Listing - [select for diffs]
Modified Wed Mar 2 15:36:14 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 388 
remove default parameter from MersenneTwister.hpp which causes all kinds of trouble.
Refactory random number generator
Revision 388 - Directory Listing - [select for diffs]
Modified Tue Mar 1 23:02:33 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 385 
replace SPRNG by MTRand
Revision 385 - Directory Listing - [select for diffs]
Modified Tue Mar 1 20:10:14 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 384 
fix compilation problem for g++ 3.4
Revision 384 - Directory Listing - [select for diffs]
Modified Tue Mar 1 19:11:47 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 381 
adding OOPSERandNumGen
Revision 381 - Directory Listing - [select for diffs]
Modified Tue Mar 1 14:45:45 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 376 
adding MersenneTwister random number generator
Revision 376 - Directory Listing - [select for diffs]
Modified Thu Feb 24 20:55:07 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 335 
adding basic_teebuf which can operate on multiple stream simutaneously.
Revision 335 - Directory Listing - [select for diffs]
Modified Mon Feb 14 18:12:43 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 326 
fix a bug in VelocityVerletIntegrator : last frame is written twice
Revision 326 - Directory Listing - [select for diffs]
Modified Sun Feb 13 20:05:42 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 324 
maximum length defaults to the cutoff radius
Revision 324 - Directory Listing - [select for diffs]
Modified Sun Feb 13 19:10:25 2005 UTC (20 years, 3 months ago) by tim
Diff to previous 276 
dynamicProps get built
Revision 276 - Directory Listing - [select for diffs]
Modified Wed Jan 26 15:26:47 2005 UTC (20 years, 4 months ago) by tim
Diff to previous 273 
forget to add eorWriter
Revision 273 - Directory Listing - [select for diffs]
Modified Tue Jan 25 17:45:23 2005 UTC (20 years, 4 months ago) by tim
Diff to previous 271 
(1) complete section parser's error message
(2) add GhostTorsion
(3) accumulate inertial tensor from the directional atoms before calculate rigidbody's inertial tensor
Revision 271 - Directory Listing - [select for diffs]
Modified Mon Jan 17 16:58:32 2005 UTC (20 years, 4 months ago) by tim
Diff to previous 270 
fix a bug in loading initial extended system parameters
Revision 270 - Directory Listing - [select for diffs]
Modified Mon Jan 17 16:05:30 2005 UTC (20 years, 4 months ago) by tim
Diff to previous 267 
forget to set maxIterNum_ in NVT
Revision 267 - Directory Listing - [select for diffs]
Modified Fri Jan 14 21:13:24 2005 UTC (20 years, 4 months ago) by gezelter
Diff to previous 246 
moved Package variable into subdirectory makefiles to speed up
the building process
Revision 246 - Directory Listing - [select for diffs]
Modified Wed Jan 12 22:41:40 2005 UTC (20 years, 4 months ago) by gezelter
Diff to previous 224 
merging new_design branch into OOPSE-2.0
Revision 224 - Directory Listing - [select for diffs]
Modified Wed Nov 24 18:06:14 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 221 
improved restraints
Revision 221 - Directory Listing - [select for diffs]
Modified Tue Nov 23 22:48:31 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 214 
Improvements to restraints
Revision 214 - Directory Listing - [select for diffs]
Modified Thu Nov 11 21:47:05 2004 UTC (20 years, 6 months ago) by chrisfen
Diff to previous 204 
Commented out some write statements
Revision 204 - Directory Listing - [select for diffs]
Modified Thu Nov 4 16:20:55 2004 UTC (20 years, 6 months ago) by gezelter
Diff to previous 132 
Don't remember what I did
Revision 132 - Directory Listing - [select for diffs]
Modified Thu Oct 21 16:22:01 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 66 
replace old GebericData with  new GenericData
Revision 66 - Directory Listing - [select for diffs]
Modified Mon Oct 11 22:15:56 2004 UTC (20 years, 7 months ago) by tim
Diff to previous 24 
change #include "mpi.h" to #include <mpi.h> in AbstractClasses.hpp
Revision 24 - Directory Listing - [select for diffs]
Modified Wed Sep 29 21:55:03 2004 UTC (20 years, 8 months ago) by tim
Diff to previous 14 
define DEV_ROOT as relative path
Revision 14 - Directory Listing - [select for diffs]
Modified Wed Sep 29 14:59:25 2004 UTC (20 years, 8 months ago) by tim
Diff to previous 8 
change Makefile to relative path
Revision 8 - Directory Listing - [select for diffs]
Modified Tue Sep 28 20:44:02 2004 UTC (20 years, 8 months ago) by tim
Diff to previous 3 
*** empty log message ***
Revision 3 - Directory Listing - [select for diffs]
Modified Fri Sep 24 16:27:58 2004 UTC (20 years, 8 months ago) by tim
Diff to previous 2 
change the #include in source files
Revision 2 - Directory Listing - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (20 years, 8 months ago) by gezelter 
Import of OOPSE v. 2.0

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