../
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Thermo.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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DataStorage.cpp
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1846
(19 years ago)
by tim:
Dump2Xyz is also working, energy of NVE is not conserved
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Snapshot.hpp
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1844
(19 years ago)
by tim:
NVE is running
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DataStorage.hpp
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1844
(19 years ago)
by tim:
NVE is running
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SimInfo.hpp
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1843
(19 years ago)
by tim:
more missing function get implemented
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SimInfo.cpp
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1843
(19 years ago)
by tim:
more missing function get implemented
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Thermo.hpp
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1843
(19 years ago)
by tim:
more missing function get implemented
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SimCreator.hpp
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1842
(19 years ago)
by tim:
Change interface of SimInfo
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SimCreator.cpp
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1842
(19 years ago)
by tim:
Change interface of SimInfo
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MoleculeCreator.cpp
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1842
(19 years ago)
by tim:
Change interface of SimInfo
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Stats.cpp
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1833
(19 years ago)
by tim:
oopse get built
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SimSnapshotManager.cpp
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1832
(19 years ago)
by tim:
still have two linking problem
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SimSnapshotManager.hpp
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1832
(19 years ago)
by tim:
still have two linking problem
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SnapshotManager.hpp
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1832
(19 years ago)
by tim:
still have two linking problem
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Exclude.cpp
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1832
(19 years ago)
by tim:
still have two linking problem
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SkipList.cpp
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1826
(19 years ago)
by tim:
adding qulified name prefix std
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SkipList.hpp
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1826
(19 years ago)
by tim:
adding qulified name prefix std
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Stats.hpp
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1820
(19 years ago)
by tim:
NVE get built
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ForceManager.cpp
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1813
(19 years ago)
by tim:
refactory AtomType
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Makefile
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1805
(19 years ago)
by tim:
brains get built, io is next
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MoleculeCreator.hpp
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1805
(19 years ago)
by tim:
brains get built, io is next
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SnapShot.cpp
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1804
(19 years ago)
by tim:
fix Thermo
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Exclude.hpp
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1804
(19 years ago)
by tim:
fix Thermo
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ForceManager.hpp
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1804
(19 years ago)
by tim:
fix Thermo
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fSimulation.h
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1727
(19 years ago)
by tim:
add Snapshot.cpp, remove useless mpiSimulation
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Migrator.hpp
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1700
(19 years ago)
by tim:
Adding LocalIndexManager and Migrator. Need unit test
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