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root/group/branches/new_design/OOPSE-4/src/primitives/Torsion.cpp
Revision 1850 - (view) (annotate) - [select for diffs]
Modified Sat Dec 4 19:29:54 2004 UTC (19 years, 7 months ago) by tim
File length: 3215 byte(s)
Diff to previous 1849 
rewind to old copy
Revision 1849 - (view) (annotate) - [select for diffs]
Modified Sat Dec 4 19:24:16 2004 UTC (19 years, 7 months ago) by gezelter
File length: 14530 byte(s)
Diff to previous 1847 
What?
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: 3215 byte(s)
Diff to previous 1782 
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 1782 - (view) (annotate) - [select for diffs]
Modified Wed Nov 24 20:55:03 2004 UTC (19 years, 7 months ago) by tim
File length: 3209 byte(s)
Diff to previous 1746 
types and primitives get built
Revision 1746 - (view) (annotate) - [select for diffs]
Modified Wed Nov 17 06:37:56 2004 UTC (19 years, 8 months ago) by tim
File length: 3048 byte(s)
Diff to previous 1742 
add  PolynomialBondType, PolynomialBendType, PolynomialTorsionType, HarmonicBendType and CharmmTorsionType. Need to refine the design and add document for them
Revision 1742 - (view) (annotate) - [select for diffs]
Modified Tue Nov 16 20:36:18 2004 UTC (19 years, 8 months ago) by tim
File length: 11614 byte(s)
Diff to previous 1701 
BondType, BendType and TorsionType
Revision 1701 - (view) (annotate) - [select for diffs]
Modified Wed Nov 3 16:08:43 2004 UTC (19 years, 8 months ago) by tim
File length: 5891 byte(s)
Diff to previous 1692 
mess up ......
Revision 1692 - (view) (annotate) - [select for diffs]
Modified Mon Nov 1 20:15:58 2004 UTC (19 years, 8 months ago) by tim
File length: 5911 byte(s)
Diff to previous 1683 
break, break and break.....
Revision 1683 - (view) (annotate) - [select for diffs]
Modified Thu Oct 28 22:34:02 2004 UTC (19 years, 8 months ago) by (unknown author)
File length: 5729 byte(s)
Diff to previous 1492 
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-4/src/primitives/Torsion.cpp
File length: 5729 byte(s)
Diff to previous 1490 
change the #include in source files
Revision 1490 - (view) (annotate) - [select for diffs]
Added Fri Sep 24 04:16:43 2004 UTC (19 years, 9 months ago) by gezelter
Original Path: trunk/OOPSE-4/src/primitives/Torsion.cpp
File length: 5707 byte(s) 
Import of OOPSE v. 2.0

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