Xavier Andrade edited geometry optimization.tex  over 9 years ago

Commit id: adfb5226b3fd423160f77a45017e6578129a79ef

deletions | additions      

       

%  \begin{equation}  \label{eq:velocity_fire}  \vec{\mathrm{v}}(t) \mathrm{\vec{v}}(t)  \rightarrow \vec{\mathrm{V}} \mathrm{\vec{V}}  = (1-\alpha)\vec{\mathrm{v}}(t) (1-\alpha)\mathrm{\vec{v}}(t)  + \alpha |\vec{\mathrm{v}}(t)|\hat{F}(t)\ |\mathrm\vec{{v}}(t)|\hat{F}(t)\  , \end{equation}  %  where $\vec{\mathrm{v}}$ $\mathrm{\vec{v}}$  is the velocity of the atoms, $\alpha$ is an adaptative parameter, and $\hat{F}$ is an unitary vector in the direction of the force $\vec{F}$. By doing this velocity modification, the acceleration of the atoms are given by %  \begin{equation}  \label{eq:acceleration_fire}