| bulksi-run.pl |
script |
A perl script to run the test.
|
| MEAMPOT.Si |
potential |
Contains the parameters for MEAM Si
potential.
|
| TBPARAM.Si.Kwon.std |
potential |
Contains the parameters for Si-ETB by Kwon
et al.
|
| TBPARAM.Si.LANL.std |
potential |
Contains the parameters for Si-ETB by
Lenosky et al.
|
| SiCubic.xml |
particleset |
Contains an input configuration to construct
a diamond structure with a cubic lattice. Uses
attrib's to
add particle attributes. group is used to assign
an attribute for a species, which is typically
handled by potential classes.
|
| sw-evn-100K.xml |
ohmmsapp |
A main xml file to perform constant energy,
volume and number simulation with SW potential
at 100 K. SW potential is not generalized for
other species and is mainly for the development
and debugging.
|
| meam-tvn-500K.xml |
ohmmsapp |
A main xml file to perform constant energy,
volume and number simulation with MEAM
potential at 500 K. MEAM potentials are
parameterized by T. Lenosky.
|
| tb-tvn-1000K.xml |
ohmmsapp |
A main xml file to perform constant energy,
volume and number simulation with ETB potential
at 500 K.
|
