Implement FIRE optimization method #2599
Description
Structural Relaxation Made Simple
https://doi.org/10.1103/PhysRevLett.97.170201
ASE has implemented not only FIRE, but two improvements:
https://gitlab.com/ase/ase/-/merge_requests/3284
The FIRE2.0 algorithm is implemented using the integrator euler semi implicit
as described in the following paper:
J. Guénolé, W.G. Nöhring, A. Vaid, F. Houllé, Z. Xie, A. Prakash, E. Bitzek,
Assessment and optimization of the fast inertial relaxation engine (fire)
for energy minimization in atomistic simulations and its implementation in lammps,
Comput. Mater. Sci. 175 (2020) 109584.
https://doi.org/10.1016/j.commatsci.2020.109584.
ABC-Fire is implemented s described in the paper:
S. Echeverri Restrepo, P. Andric,
ABC-FIRE: Accelerated Bias-Corrected Fast Inertial Relaxation Engine,
Comput. Mater. Sci. 218 (2023) 111978.
https://doi.org/10.1016/j.commatsci.2022.111978.