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