<html><head><meta http-equiv="Content-Type" content="text/html; charset=utf-8"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; line-break: after-white-space;" class="">It is to make sure that the QM box is always centred around the centre of the QM atoms and the QM atoms will not move outside the QM box.<div class=""><br class=""><div><br class=""><blockquote type="cite" class=""><div class="">On 1 May 2021, at 02:45, longfei guo <<a href="mailto:10751...@qq.com" class="">10751...@qq.com</a>> wrote:</div><br class="Apple-interchange-newline"><div class="">Hi<div class="">Please forgive me if I am asking very general stupid questions.<br class=""><div class="">I have a question. Why did you use the keyword CENTER_TYPE PBC_AWARE_MAX_MINUS_MIN? </div><div class=""> <br class="">Longfei</div></div><div class="gmail_quote"><div dir="auto" class="gmail_attr">在2021年3月4日星期四 UTC+8 下午9:44:15<amami...@<a href="http://gmail.com" class="">gmail.com</a>> 写道：<br class=""></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><div style="word-wrap:break-word;line-break:after-white-space" class="">For some reason, google group doesn’t allow me to attach any attachment from the website.<div class=""></div></div></blockquote></div><div class=""><br class="webkit-block-placeholder"></div>
-- <br class="">
You received this message because you are subscribed to a topic in the Google Groups "cp2k" group.<br class="">
To unsubscribe from this topic, visit <a href="https://groups.google.com/d/topic/cp2k/QE4L-2wzYLo/unsubscribe" class="">https://groups.google.com/d/topic/cp2k/QE4L-2wzYLo/unsubscribe</a>.<br class="">
To unsubscribe from this group and all its topics, send an email to <a href="mailto:cp...@googlegroups.com" class="">cp...@googlegroups.com</a>.<br class="">
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/7df22b31-c638-44de-a996-d1e28266436dn%40googlegroups.com?utm_medium=email&utm_source=footer" class="">https://groups.google.com/d/msgid/cp2k/7df22b31-c638-44de-a996-d1e28266436dn%40googlegroups.com</a>.<br class="">
</div></blockquote></div><br class=""></div></body></html>