 ../
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UseTheForce/
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1847
(19 years ago)
by tim:
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
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applications/
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1846
(19 years ago)
by tim:
Dump2Xyz is also working, energy of NVE is not conserved
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brains/
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1847
(19 years ago)
by tim:
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
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constraints/
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1832
(19 years ago)
by tim:
still have two linking problem
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integrators/
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1847
(19 years ago)
by tim:
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
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io/
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1846
(19 years ago)
by tim:
Dump2Xyz is also working, energy of NVE is not conserved
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math/
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1827
(19 years ago)
by tim:
remove using namespace std in .cpp file
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minimizers/
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1830
(19 years ago)
by tim:
change endl to std::endl
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primitives/
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1847
(19 years ago)
by tim:
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
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profiling/
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1683
(19 years ago)
by :
This commit was manufactured by cvs2svn to create branch 'new_design'.
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restraints/
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1830
(19 years ago)
by tim:
change endl to std::endl
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types/
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1837
(19 years ago)
by tim:
refine factory pattern to make it initialized correctly
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utils/
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1847
(19 years ago)
by tim:
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
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visitors/
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1832
(19 years ago)
by tim:
still have two linking problem
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Makefile
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1683
(19 years ago)
by :
This commit was manufactured by cvs2svn to create branch 'new_design'.
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config.h.in
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1683
(19 years ago)
by :
This commit was manufactured by cvs2svn to create branch 'new_design'.
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