Fast inertial relaxation engine (FIRE) to optimization implemented in Python
References:
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Bitzek, E., Koskinen, P., Gähler, F., Moseler, M., & Gumbsch, P. (2006). Structural relaxation made simple. Physical Review Letters, 97(17), 1–4. https://doi.org/10.1103/PhysRevLett.97.170201
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Guénolé, J., Nöhring, W. G., Vaid, A., Houllé, F., Xie, Z., Prakash, A., & Bitzek, E. (2020). Assessment and optimization of the fast inertial relaxation engine (FIRE) for energy minimization in atomistic simulations and its implementation in LAMMPS. Computational Materials Science, 175. https://doi.org/10.1016/j.commatsci.2020.109584