 ../
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DataStorage.cpp
|
1846
(19 years ago)
by tim:
Dump2Xyz is also working, energy of NVE is not conserved
|
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DataStorage.hpp
|
1844
(19 years ago)
by tim:
NVE is running
|
|
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
|
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
|
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
|
1886
(19 years ago)
by tim:
MPI in NVE is working
|
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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
|
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
|
1867
(19 years ago)
by tim:
NPT in progress
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SimSnapshotManager.cpp
|
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
|
1826
(19 years ago)
by tim:
adding qulified name prefix std
|
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SkipList.hpp
|
1826
(19 years ago)
by tim:
adding qulified name prefix std
|
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SnapShot.cpp
|
1869
(19 years ago)
by tim:
fix a parsing bug in ElectroStaticAtomTypesSectionParser
|
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Snapshot.hpp
|
1883
(19 years ago)
by tim:
MPI version is built
|
|
SnapshotManager.hpp
|
1832
(19 years ago)
by tim:
still have two linking problem
|
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Stats.cpp
|
1833
(19 years ago)
by tim:
oopse get built
|
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Stats.hpp
|
1820
(19 years ago)
by tim:
NVE get built
|
|
Thermo.cpp
|
1883
(19 years ago)
by tim:
MPI version is built
|
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Thermo.hpp
|
1843
(19 years ago)
by tim:
more missing function get implemented
|
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fSimulation.h
|
1727
(19 years ago)
by tim:
add Snapshot.cpp, remove useless mpiSimulation
|
