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Author: tim
Date: Sat Dec 4 05:24:07 2004 UTC (19 years, 6 months ago)
Log Message: 
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

Changed paths

Path Details
Directorybranches/new_design/OOPSE-2.0/src/UseTheForce/ForceField.cpp modified , text changed
Directorybranches/new_design/OOPSE-2.0/src/brains/Thermo.cpp modified , text changed
Directorybranches/new_design/OOPSE-2.0/src/integrators/Integrator.hpp modified , text changed
Directorybranches/new_design/OOPSE-2.0/src/integrators/VelocityVerletIntegrator.cpp modified , text changed
Directorybranches/new_design/OOPSE-2.0/src/primitives/Torsion.cpp modified , text changed
Directorybranches/new_design/OOPSE-2.0/src/utils/TypeContainer.hpp modified , text changed
Directorybranches/new_design/OOPSE-3.0/src/UseTheForce/ForceField.cpp modified , text changed
Directorybranches/new_design/OOPSE-3.0/src/brains/Thermo.cpp modified , text changed
Directorybranches/new_design/OOPSE-3.0/src/integrators/Integrator.hpp modified , text changed
Directorybranches/new_design/OOPSE-3.0/src/integrators/VelocityVerletIntegrator.cpp modified , text changed
Directorybranches/new_design/OOPSE-3.0/src/primitives/Torsion.cpp modified , text changed
Directorybranches/new_design/OOPSE-3.0/src/utils/TypeContainer.hpp modified , text changed
Directorybranches/new_design/OOPSE-4/src/UseTheForce/ForceField.cpp modified , text changed
Directorybranches/new_design/OOPSE-4/src/brains/Thermo.cpp modified , text changed
Directorybranches/new_design/OOPSE-4/src/integrators/Integrator.hpp modified , text changed
Directorybranches/new_design/OOPSE-4/src/integrators/VelocityVerletIntegrator.cpp modified , text changed
Directorybranches/new_design/OOPSE-4/src/primitives/Torsion.cpp modified , text changed
Directorybranches/new_design/OOPSE-4/src/utils/TypeContainer.hpp modified , text changed