<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">Just a correction to my previous message:</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px"><br></p> <blockquote type="cite"><p style="margin: 0.0px 0.0px 0.0px 10.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">the keyword STRESS_TENSOR in the &MD section.</font></p> </blockquote><p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px"><br></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">the keyword STRESS_TENSOR has been moved to the FORCE_EVAL section and is not any longer into the MD section.</font></p><p style="margin: 0.0px 0.0px 0.0px 0.0px">This will make possible in the future to access the stress tensor also for non MD run (who knows?).</p> <p style="margin: 0.0px 0.0px 0.0px 0.0px">In case you use multiple force_evals remember to specify this keyword for each force_eval. In case not, you</p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">will anyway receive an error message remembering to do that.</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px"><br></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">Ciao and sorry again,</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">Teo</font></p> </div><br></body></html>