../
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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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DataStorage.hpp
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1844
(19 years ago)
by tim:
NVE is running
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Exclude.cpp
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1856
(19 years ago)
by tim:
fix a bug in Exclude List
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Exclude.hpp
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1856
(19 years ago)
by tim:
fix a bug in Exclude List
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ForceManager.cpp
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1881
(19 years ago)
by tim:
forget to zero out the torque. Sticky and Dipole is working now
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ForceManager.hpp
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1804
(19 years ago)
by tim:
fix Thermo
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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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Migrator.hpp
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1700
(19 years ago)
by tim:
Adding LocalIndexManager and Migrator. Need unit test
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MoleculeCreator.cpp
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1857
(19 years ago)
by tim:
short range interaction for butane is correct.Still something wrong with long range one
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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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SimCreator.cpp
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1892
(19 years ago)
by tim:
add getMaxRcutFromAtomType into EAM
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SimCreator.hpp
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1842
(19 years ago)
by tim:
Change interface of SimInfo
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SimInfo.cpp
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1887
(19 years ago)
by tim:
fix bugs in getCom and getComVel (forget to call All_reduce in MPI version)
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SimInfo.hpp
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1867
(19 years ago)
by tim:
NPT in progress
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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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1884
(19 years ago)
by tim:
more fix in MPI version
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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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SnapShot.cpp
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1869
(19 years ago)
by tim:
fix a parsing bug in ElectroStaticAtomTypesSectionParser
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Snapshot.hpp
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1883
(19 years ago)
by tim:
MPI version is built
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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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Stats.cpp
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1833
(19 years ago)
by tim:
oopse get built
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Stats.hpp
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1820
(19 years ago)
by tim:
NVE get built
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Thermo.cpp
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1883
(19 years ago)
by tim:
MPI version is built
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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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fSimulation.h
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1727
(19 years ago)
by tim:
add Snapshot.cpp, remove useless mpiSimulation
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