../
|
DarkSide/
|
1924
(19 years ago)
by tim:
change data type from logical to integer in AtomTypeProperties.h
|
DUFF.cpp
|
1922
(19 years ago)
by tim:
change default name of DUFF force field to DUFF2.frc
|
DUFF.hpp
|
1890
(19 years ago)
by tim:
add EAM Force Field
|
EAM.cpp
|
1917
(19 years ago)
by tim:
minor fix
|
EAM.hpp
|
1892
(19 years ago)
by tim:
add getMaxRcutFromAtomType into EAM
|
ForceField.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
|
ForceField.hpp
|
1807
(19 years ago)
by tim:
brains get built
|
ForceFieldCreator.hpp
|
1913
(19 years ago)
by tim:
create a register module to register force fields, integrators and minimizers
|
ForceFieldFactory.cpp
|
1913
(19 years ago)
by tim:
create a register module to register force fields, integrators and minimizers
|
ForceFieldFactory.hpp
|
1913
(19 years ago)
by tim:
create a register module to register force fields, integrators and minimizers
|
Makefile
|
1913
(19 years ago)
by tim:
create a register module to register force fields, integrators and minimizers
|
Shapes_FF.cpp
|
1829
(19 years ago)
by tim:
minor fix
|
doForces.F90
|
1877
(19 years ago)
by tim:
sticky module get compiled
|
doForces_interface.h
|
1683
(19 years ago)
by :
This commit was manufactured by cvs2svn to create branch 'new_design'.
|
fSwitchingFunction.h
|
1683
(19 years ago)
by :
This commit was manufactured by cvs2svn to create branch 'new_design'.
|
mpiComponentPlan.h
|
1722
(19 years ago)
by tim:
adding ForceManager
|
notifyCutoffs.F90
|
1683
(19 years ago)
by :
This commit was manufactured by cvs2svn to create branch 'new_design'.
|
notifyCutoffs_interface.h
|
1683
(19 years ago)
by :
This commit was manufactured by cvs2svn to create branch 'new_design'.
|