You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
quench.py --- will carry out a series of amorphous carbon quenches and compute
the hybridization. hyb.out will contain the hybridization as a function of
density. calcs.py and liquid_tools.py are helper scripts.
fcc.py --- will find the lattice constant for the Grochola Au potential. Au-Grochola-JCP05.eam.alloy was downloaded Nov. 28, 2014, from the NIST interatomic potentials repository project, see: http://www.ctcms.nist.gov/potentials/Au.html