fire_minimization
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| - | ====== FIRE minimization ====== | ||
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| - | Molecular dynamics based minimization technique which use only gradient, first derivative, but it often privides performance comparable in better than quasi-second-order Quasi-Newton algorithms such as BFGS. It differs from Quenched molecular dynamics in the way how velocity is updated. An other difference quenched MD is that mass of all atoms is assumed to by 1.0 atomic units. | ||
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| - | === References === | ||
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| - | - Bitzek, E., Koskinen, P., Gähler, F., Moseler, M. & Gumbsch, P. Structural relaxation made simple. Phys. Rev. Lett. 97, 170201 (2006). | ||
fire_minimization.txt · Last modified: 2014/07/08 14:20 (external edit)
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