Revision
1847 -
Directory Listing
-
[select for diffs]
Modified
Sat Dec 4 05:24:07 2004 UTC
(19 years, 8 months ago)
by
tim
Diff to
previous 1846
,
to
selected 1742
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
1746 -
Directory Listing
-
[select for diffs]
Modified
Wed Nov 17 06:37:56 2004 UTC
(19 years, 9 months ago)
by
tim
Diff to
previous 1742
add PolynomialBondType, PolynomialBendType, PolynomialTorsionType, HarmonicBendType and CharmmTorsionType. Need to refine the design and add document for them
Revision
1742 -
Directory Listing
-
[selected]
Modified
Tue Nov 16 20:36:18 2004 UTC
(19 years, 9 months ago)
by
tim
Diff to
previous 1738
BondType, BendType and TorsionType
Revision
1725 -
Directory Listing
-
[select for diffs]
Modified
Wed Nov 10 22:01:06 2004 UTC
(19 years, 9 months ago)
by
tim
Diff to
previous 1719
,
to
selected 1742
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