Revision 1847 - (view) (annotate) - [select for diffs]
Modified Sat Dec 4 05:24:07 2004 UTC (19 years, 7 months ago) by tim
File length: 3383 byte(s)
Diff to previous 1820

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

NVE get built

Revision 1819 - (view) (annotate) - [select for diffs]
Modified Wed Dec 1 22:45:49 2004 UTC (19 years, 7 months ago) by tim
File length: 3165 byte(s)
Diff to previous 1775

rename DumpWrite to DumpWriter

add SetForceManager method to integrator

Revision 1774 - (view) (annotate) - [select for diffs]
Modified Tue Nov 23 23:12:23 2004 UTC (19 years, 7 months ago) by tim
File length: 1886 byte(s)
Diff to previous 1722

refactory NPT integrator

adding ForceManager

Revision 1721 - (view) (annotate) - [select for diffs]
Modified Tue Nov 9 01:08:31 2004 UTC (19 years, 8 months ago) by tim
File length: 1783 byte(s)
Diff to previous 1683

More to break

This commit was manufactured by cvs2svn to create branch 'new_design'.

Revision 1492 - (view) (annotate) - [select for diffs]
Modified Fri Sep 24 16:27:58 2004 UTC (19 years, 9 months ago) by tim
Original Path: trunk/OOPSE-2.0/src/integrators/Integrator.hpp
File length: 13759 byte(s)
Diff to previous 1490

change the #include in source files

Import of OOPSE v. 2.0