singularitty / genetic-algorithm-structure-prediction Goto Github PK View Code? Open in Web Editor NEW 2.0 1.0 1.0 31 KB An implementation of a genetic algorithm in Python for predicting equilibrium crystal structures for a given potential. The potential implemented here is the Daoud-Cotton model, but this can be easily changed. License: MIT License Python 100.00% genetic-algorithm structure-prediction physics-2d statistical-physics crystal-structure Introduction ยท People ยท Discuss
Code not running Code requires debugging. Current know problems: Non 1 and 0 characters being mixed in the binary representation of the individuals Numpy returning division by zero exception in potential energy calculations Code also appears to run slow, but this can be due to the large number of particles in a structure.
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