
.. _calculators:

===========
Calculators
===========

Several calculators are included in addition to calculators which can be run through `ASE <https://wiki.fysik.dtu.dk/ase/ase/calculators/calculators.html#module-calculators>`_

**Calculators**: 

        ``eam_al``: Embedded atom method parameterized for aluminum.

        ``bopfox``: Bond order potential, for metals. 

        ``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. 



