Several calculators are included in addition to calculators which can be run through ASE
Calculators:
al
: Embedded atom method parameterized for aluminum.
bopfox
: Bond order potential, for metals.
lj
: Lennard-Jones potential
ljocl
: Lennard-Jones potential in reduced unit with openCL
meam_si
: Modified-EAM potential, for silicon.
meam_si
: Modified-EAM potential, for lithium and silicon.
lepsho
: LEPS+ Harmonic Oscillator potential.
push
: Simple potential to push apart atoms to minimal distance
Voter77
: Voter77 potential.
w
: Molybdenum potential.
ZDP_5Gaus
: ZDP 5Gaus potential.