 ../
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Velocitizer.hpp
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1819
(19 years ago)
by tim:
rename DumpWrite to DumpWriter
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Velocitizer.cpp
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1819
(19 years ago)
by tim:
rename DumpWrite to DumpWriter
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RotationAlgorithm.hpp
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1820
(19 years ago)
by tim:
NVE get built
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DLM.hpp
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1820
(19 years ago)
by tim:
NVE get built
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DLM.cpp
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1820
(19 years ago)
by tim:
NVE get built
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NPT.hpp
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1822
(19 years ago)
by tim:
oopse get compiled, still has some linking problem
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IntegratorFactory.hpp
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1837
(19 years ago)
by tim:
refine factory pattern to make it initialized correctly
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NPTi.hpp
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1837
(19 years ago)
by tim:
refine factory pattern to make it initialized correctly
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NPTxyz.hpp
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1837
(19 years ago)
by tim:
refine factory pattern to make it initialized correctly
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IntegratorCreator.hpp
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1837
(19 years ago)
by tim:
refine factory pattern to make it initialized correctly
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NVE.hpp
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1837
(19 years ago)
by tim:
refine factory pattern to make it initialized correctly
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NPTf.hpp
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1837
(19 years ago)
by tim:
refine factory pattern to make it initialized correctly
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IntegratorFactory.cpp
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1840
(19 years ago)
by tim:
Fixed a bug in countTokens in StringTokenizer
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IntegratorCreator.cpp
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1840
(19 years ago)
by tim:
Fixed a bug in countTokens in StringTokenizer
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Makefile
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1843
(19 years ago)
by tim:
more missing function get implemented
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NVE.cpp
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1843
(19 years ago)
by tim:
more missing function get implemented
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VelocityVerletIntegrator.hpp
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1846
(19 years ago)
by tim:
Dump2Xyz is also working, energy of NVE is not conserved
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VelocityVerletIntegrator.cpp
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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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Integrator.hpp
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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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Integrator.cpp
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1865
(19 years ago)
by tim:
fix a bug in UseInitXSstate
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NPTxyz.cpp
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1867
(19 years ago)
by tim:
NPT in progress
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NPT.cpp
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1867
(19 years ago)
by tim:
NPT in progress
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NVT.cpp
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1867
(19 years ago)
by tim:
NPT in progress
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NVT.hpp
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1867
(19 years ago)
by tim:
NPT in progress
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NPTf.cpp
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1867
(19 years ago)
by tim:
NPT in progress
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NPTi.cpp
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1867
(19 years ago)
by tim:
NPT in progress
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