Revision
1881 -
Directory Listing
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[selected]
Modified
Fri Dec 10 16:14:53 2004 UTC
(19 years, 9 months ago)
by
tim
Diff to
previous 1880
forget to zero out the torque. Sticky and Dipole is working now
Revision
1847 -
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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 1881
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 -
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Modified
Wed Nov 17 06:37:56 2004 UTC
(19 years, 10 months ago)
by
tim
Diff to
previous 1742
,
to
selected 1881
add PolynomialBondType, PolynomialBendType, PolynomialTorsionType, HarmonicBendType and CharmmTorsionType. Need to refine the design and add document for them
Revision
1725 -
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Modified
Wed Nov 10 22:01:06 2004 UTC
(19 years, 10 months ago)
by
tim
Diff to
previous 1719
,
to
selected 1881
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