<div dir="ltr"><div>Dear Ari,</div><div>thank you for your helpful response<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">Le dim. 22 mars 2020 à 21:00, Ari Paavo Seitsonen <<a href="mailto:ari.p....@gmail.com">ari.p....@gmail.com</a>> a écrit :<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr"><div>Dear Zineb,</div><div><br></div><div> Which version of CP2K are you using? The elder versions had the sub-section, the documentation of the newest version not, but there is a note:<br>"<em>Requests a RESP fit of charges. When using a periodic Poisson solver
and a periodic cell, the periodic RESP routines are used. If the
Hartree potential matches with the one of an isolated system (i.e.
isolated Poisson solver and big, nonperiodic cells), the nonperiodic
RESP routines are automatically used."</em></div><div><em><br></em></div><div><em> Greetings from Paris,</em></div><div><em><br></em></div><div><em> apsi<br></em></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">Le dim. 22 mars 2020 à 20:34, zineb kerrami <<a href="mailto:zz.k...@gmail.com" target="_blank">zz.k...@gmail.com</a>> a écrit :<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex"><div dir="ltr">hello cp2k community,<div>i'm trying to run RESP fit, but I always found problem with the subsection NONPERIODIC_SYS</div><div><br></div><div><span style="font-family:monospace"><span style="color:rgb(0,0,0)">unknown subsection NONPERIODIC_SYS of section RESP </span><br></span></div><div><span style="font-family:monospace"><span style="color:rgb(0,0,0)"><br></span></span></div><div><span style="font-family:monospace"><span style="color:rgb(0,0,0)">any comments?</span></span></div></div>
<p></p>
-- <br>
You received this message because you are subscribed to the Google Groups "cp2k" group.<br>
To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>.<br>
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/94fb758b-6412-4af0-878b-739fa959df95%40googlegroups.com?utm_medium=email&utm_source=footer" target="_blank">https://groups.google.com/d/msgid/cp2k/94fb758b-6412-4af0-878b-739fa959df95%40googlegroups.com</a>.<br>
</blockquote></div><br clear="all"><br>-- <br><div dir="ltr"><div dir="ltr"><div><div dir="ltr"><div><div dir="ltr">-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-<br> Ari Paavo Seitsonen / <a href="mailto:Ari.P....@iki.fi" target="_blank">Ari.P....@iki.fi</a> / <a href="http://www.iki.fi/~apsi/" target="_blank">http://www.iki.fi/~apsi/</a><br> Ecole Normale Supérieure (ENS), Département de Chimie, Paris<br> Mobile (F) : +33 789 37 24 25 (CH) : +41 79 71 90 935<br></div></div></div></div></div></div>
<p></p>
-- <br>
You received this message because you are subscribed to the Google Groups "cp2k" group.<br>
To unsubscribe from this group and stop receiving emails from it, send an email to <a href="mailto:cp...@googlegroups.com" target="_blank">cp...@googlegroups.com</a>.<br>
To view this discussion on the web visit <a href="https://groups.google.com/d/msgid/cp2k/CAH8yFiYEWuzSXx%2Box4gaxicmsrZ9BjpCAiYHFo7aA%3Dd2o7yPFg%40mail.gmail.com?utm_medium=email&utm_source=footer" target="_blank">https://groups.google.com/d/msgid/cp2k/CAH8yFiYEWuzSXx%2Box4gaxicmsrZ9BjpCAiYHFo7aA%3Dd2o7yPFg%40mail.gmail.com</a>.<br>
</blockquote></div><br clear="all"><br>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div style="font-size:12.8px"><div><b><font face="georgia, serif" color="#000000">Zineb Kerrami<br></font></b></div><font face="georgia, serif" color="#000000">Laboratoire de Matière Condensée et Sciences Interdisciplinaires (LaMCScI)<br>Faculté des Sciences, Université Mohammed V<br></font></div><font face="georgia, serif" color="#000000"><span style="font-size:12.8px">4 Avenue Ibn Battouta, B.P. 1014 RP,<br>10000 Rabat</span><span style="font-size:12.8px">, Morocco</span></font><br></div></div></div></div>