ABF:Controls: Difference between revisions
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with the Gaussian smoothing kernel defined as: | with the Gaussian smoothing kernel defined as: | ||
<center><math>K(\bold\xi_i,\bold\xi_j) = exp\left( - \frac {1}{2} \sum\limits_{k=1}^{N_{CVS}} \frac { (\xi_{i,k} - \xi_{j,k})^2} { w_{k}^2 h_{k}^2 } \right)</math></center>, | <center><math>K(\bold\xi_i,\bold\xi_j) = exp\left( - \frac {1}{2} \sum\limits_{k=1}^{N_{CVS}} \frac { (\xi_{i,k} - \xi_{j,k})^2} { w_{k}^2 h_{k}^2 } \right)</math></center>, | ||
where <math>h_{k}^2</math> is a bin width and <math>w_{k}^2</math> is user provided factor (wfac), see [[ABF:Collective variables]]. | where <math>h_{k}^2</math> is a bin width and <math>w_{k}^2</math> is an user provided factor (wfac), see [[ABF:Collective variables]]. | ||
==[abf-walker]== | ==[abf-walker]== | ||