Map ECI to clusters - Githubissues

ufsowa / mcdif

Monte Carlo based alghoritms used to simulate thermodynamic and kinetic properties of the alloys

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Open ufsowa opened 5 years ago

ufsowa commented 5 years ago

Use outputs cluster/eci from atat as input

(1) Adjust read parameters in potentials: ECI, functions (2) Change cluster recognition/definitions (3) CHange energy calculations