<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;" class=""><div class="">Lauri,</div><div class=""><br class=""></div><div class="">Noam has been working on that. This was a bug introduced by another developer in one of the latest refactoring.</div><div class="">Be patient: as soon as we will understand the need of such refactoring, we will restore the correct behaviour.</div><div class=""><br class=""></div><div class="">Teo</div><div class=""><br class=""></div><br class=""><div><blockquote type="cite" class=""><div class="">On 06 Mar 2015, at 06:53, Lauri Himanen <<a href="mailto:lauri....@gmail.com" class="">lauri....@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class=""><div dir="ltr" class=""><span style="font-family: arial, sans-serif; font-size: small;" class="">If I correcly interpreted the function caller graph fo</span><span style="font-family: arial, sans-serif; font-size: small;" class="">r "qmmm_update::copy_wiener_process", it seems that it is only called in simulations with force-mixing. That is why the pure MM version works.</span><div style="font-family: arial, sans-serif; font-size: small;" class=""><br class=""></div><div style="font-family: arial, sans-serif; font-size: small;" class="">The adaptive Langevin thermostat might also just trigger the problem more easily than other thermostats, and not be the ultimate reason for it.</div></div><div class=""><br class="webkit-block-placeholder"></div>
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