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ufsowa / mcdif

Monte Carlo based alghoritms used to simulate thermodynamic and kinetic properties of the alloys
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Implementation of Hamiltonian model #56

Open ufsowa opened 5 years ago

ufsowa commented 5 years ago

Focus on for 3 component system. Add new energy calculations based on ECI

ufsowa commented 5 years ago

Created a prototype for new Hamiltonian in potential cvm_get_energy().

Others method in potential need to be rewritten too. A separate class and heritage would be a good idea here.

ufsowa commented 5 years ago

Before rewritting methods, implements spins in sites and calculation of clusters.