ViewVC Help
View Directory | Revision Log | View Changeset | Root Listing
root/group/branches/new_design/OOPSE-3.0/src/integrators
Revision 1852 - Directory Listing - [select for diffs]
Modified Sun Dec 5 17:09:27 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1847 , to selected 1725 
add Integrator.cpp
Revision 1847 - Directory Listing - [select for diffs]
Modified Sat Dec 4 05:24:07 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1846 , to selected 1725 
NVE conserved energy, however, potential is not the same as OOPSE-1.0
Step 1 argon in NVE, NVT, NPTi, NPTf and NPTxyz to test integrator
Step 2 SSD in NVE to test DLM, dipole, sticky
Step 3 Butane in NVE to test Bond Bend Torsion
Step 4 EAM
Step 5 Shape
Step 6 Constraint & Restraint
Revision 1846 - Directory Listing - [select for diffs]
Modified Sat Dec 4 00:01:32 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1843 , to selected 1725 
Dump2Xyz is also working, energy of NVE is not conserved
Revision 1843 - Directory Listing - [select for diffs]
Modified Fri Dec 3 21:30:30 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1841 , to selected 1725 
more missing function get implemented
Revision 1841 - Directory Listing - [select for diffs]
Modified Fri Dec 3 17:59:45 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1840 , to selected 1725 
begin to fix bugs
Revision 1840 - Directory Listing - [select for diffs]
Modified Fri Dec 3 00:26:07 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1837 , to selected 1725 
Fixed a bug in countTokens in StringTokenizer
Revision 1837 - Directory Listing - [select for diffs]
Modified Thu Dec 2 22:15:31 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1824 , to selected 1725 
refine factory pattern to make it initialized correctly
Revision 1824 - Directory Listing - [select for diffs]
Modified Thu Dec 2 03:12:25 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1822 , to selected 1725 
replace misuse of using namespace std in header files
Revision 1822 - Directory Listing - [select for diffs]
Modified Thu Dec 2 02:08:29 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1821 , to selected 1725 
oopse get compiled, still has some linking problem
Revision 1821 - Directory Listing - [select for diffs]
Modified Thu Dec 2 00:26:23 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1820 , to selected 1725 
NVT get built
Revision 1820 - Directory Listing - [select for diffs]
Modified Thu Dec 2 00:09:35 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1819 , to selected 1725 
NVE get built
Revision 1819 - Directory Listing - [select for diffs]
Modified Wed Dec 1 22:45:49 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1775 , to selected 1725 
rename DumpWrite to DumpWriter
Revision 1775 - Directory Listing - [select for diffs]
Modified Wed Nov 24 17:42:37 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1774 , to selected 1725 
add SetForceManager method to integrator
Revision 1774 - Directory Listing - [select for diffs]
Modified Tue Nov 23 23:12:23 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1765 , to selected 1725 
refactory NPT integrator
Revision 1765 - Directory Listing - [select for diffs]
Modified Mon Nov 22 20:55:52 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1763 , to selected 1725 
adding section parsers
Revision 1763 - Directory Listing - [select for diffs]
Modified Fri Nov 19 21:48:33 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1762 , to selected 1725 
remove more useless files
Revision 1762 - Directory Listing - [select for diffs]
Modified Fri Nov 19 21:38:22 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1758 , to selected 1725 
refactory integrator
Revision 1758 - Directory Listing - [select for diffs]
Modified Fri Nov 19 17:56:32 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1756 , to selected 1725 
DUFF is almost done except error checking
Revision 1756 - Directory Listing - [select for diffs]
Modified Thu Nov 18 23:26:27 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1751 , to selected 1725 
adding DUFF parser
Revision 1751 - Directory Listing - [select for diffs]
Modified Thu Nov 18 04:12:28 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1739 , to selected 1725 
remove some junk files
Revision 1739 - Directory Listing - [select for diffs]
Modified Mon Nov 15 18:02:15 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1726 , to selected 1725 
finish DumpReader, DumpWriter.Next Step is LJFF and integrators
Revision 1726 - Directory Listing - [select for diffs]
Modified Wed Nov 10 22:50:03 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1725 
more work on SimInfo
Revision 1725 - Directory Listing - [selected]
Modified Wed Nov 10 22:01:06 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1722 
another painful day
(1) SimCreator, SimInfo, mpiSimulation
(2) DumpReader, DumpWriter (InitializeFrom File will be removed)
(3) ForceField (at least LJ) and BondType, BendType, TorsionType
(4)Integrator
(5)oopse.cpp
(6)visitors & Dump2XYZ
(7)SimpleBuilder
(8)Constraint & ZConstraint
Revision 1722 - Directory Listing - [select for diffs]
Modified Tue Nov 9 23:11:39 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1721 , to selected 1725 
adding ForceManager
Revision 1721 - Directory Listing - [select for diffs]
Modified Tue Nov 9 01:08:31 2004 UTC (19 years, 9 months ago) by tim
Diff to previous 1701 , to selected 1725 
More to break
Revision 1701 - Directory Listing - [select for diffs]
Modified Wed Nov 3 16:08:43 2004 UTC (19 years, 10 months ago) by tim
Diff to previous 1695 , to selected 1725 
mess up ......
Revision 1695 - Directory Listing - [select for diffs]
Modified Mon Nov 1 22:52:57 2004 UTC (19 years, 10 months ago) by tim
Diff to previous 1683 , to selected 1725 
Molecule, Atom, DirectionalAtom, RigidBody and StuntDouble classes get compiled
Revision 1683 - Directory Listing - [select for diffs]
Modified Thu Oct 28 22:34:02 2004 UTC (19 years, 10 months ago) by (unknown author)
Diff to previous 1625 , to selected 1725 
This commit was manufactured by cvs2svn to create branch 'new_design'.
Revision 1625 - Directory Listing - [select for diffs]
Modified Thu Oct 21 16:22:01 2004 UTC (19 years, 10 months ago) by tim
Original Path: trunk/OOPSE-3.0/src/integrators
Diff to previous 1559 , to selected 1725 
replace old GebericData with  new GenericData
Revision 1559 - Directory Listing - [select for diffs]
Modified Mon Oct 11 22:15:56 2004 UTC (19 years, 10 months ago) by tim
Original Path: trunk/OOPSE-3.0/src/integrators
Diff to previous 1513 , to selected 1725 
change #include "mpi.h" to #include <mpi.h> in AbstractClasses.hpp
Revision 1513 - Directory Listing - [select for diffs]
Modified Wed Sep 29 21:55:03 2004 UTC (19 years, 11 months ago) by tim
Original Path: trunk/OOPSE-3.0/src/integrators
Diff to previous 1503 , to selected 1725 
define DEV_ROOT as relative path
Revision 1503 - Directory Listing - [select for diffs]
Modified Wed Sep 29 14:59:25 2004 UTC (19 years, 11 months ago) by tim
Original Path: trunk/OOPSE-3.0/src/integrators
Diff to previous 1497 , to selected 1725 
change Makefile to relative path
Revision 1497 - Directory Listing - [select for diffs]
Modified Tue Sep 28 20:44:02 2004 UTC (19 years, 11 months ago) by tim
Original Path: trunk/OOPSE-3.0/src/integrators
Diff to previous 1492 , to selected 1725 
*** empty log message ***
Revision 1492 - Directory Listing - [select for diffs]
Modified Fri Sep 24 16:27:58 2004 UTC (19 years, 11 months ago) by tim
Original Path: trunk/OOPSE-3.0/src/integrators
Diff to previous 1490 , to selected 1725 
change the #include in source files
Revision 1490 - Directory Listing - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (19 years, 11 months ago) by gezelter
Original Path: trunk/OOPSE-3.0/src/integrators
Diff to selected 1725 
Import of OOPSE v. 2.0

Convenience Links