../
|
primitives/
|
1850
(19 years ago)
by tim:
rewind to old copy
|
UseTheForce/
|
1848
(19 years ago)
by gezelter:
atid / c_ident confusion
|
brains/
|
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
|
utils/
|
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
|
integrators/
|
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
|
applications/
|
1846
(19 years ago)
by tim:
Dump2Xyz is also working, energy of NVE is not conserved
|
io/
|
1846
(19 years ago)
by tim:
Dump2Xyz is also working, energy of NVE is not conserved
|
types/
|
1837
(19 years ago)
by tim:
refine factory pattern to make it initialized correctly
|
visitors/
|
1832
(19 years ago)
by tim:
still have two linking problem
|
constraints/
|
1832
(19 years ago)
by tim:
still have two linking problem
|
minimizers/
|
1830
(19 years ago)
by tim:
change endl to std::endl
|
restraints/
|
1830
(19 years ago)
by tim:
change endl to std::endl
|
math/
|
1827
(19 years ago)
by tim:
remove using namespace std in .cpp file
|
profiling/
|
1683
(19 years ago)
by :
This commit was manufactured by cvs2svn to create branch 'new_design'.
|
config.h.in
|
1683
(19 years ago)
by :
This commit was manufactured by cvs2svn to create branch 'new_design'.
|
Makefile
|
1683
(19 years ago)
by :
This commit was manufactured by cvs2svn to create branch 'new_design'.
|