Revision
1847 -
Directory Listing
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Modified
Sat Dec 4 05:24:07 2004 UTC
(19 years, 9 months ago)
by
tim
Diff to
previous 1846
,
to
selected 1722
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
1725 -
Directory Listing
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Modified
Wed Nov 10 22:01:06 2004 UTC
(19 years, 10 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