NWchem print hessian during qmd
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Just Got Here
8:31:45 AM PST - Mon, Nov 16th 2015
Hi everybody,
I'm a newby on nwchem/6.6
I would like to know if it is possible to write the hessian matrix at every timestep of a qmd calculation.
So far, I'm only able to calculate the hessian matrix on a single structure.
Thank you in advanced,
Fabio