Dear Hutter,<div><br /></div><div>I'm interested in how to use OVERLAP_DELTAT in the CP2K-NEWTONX interface. Could you please provide an example input file? Thanks.</div><div><br /></div><div>Best Regards!</div><div class="gmail_quote"><div dir="auto" class="gmail_attr">On Monday, October 21, 2024 at 3:45:28 PM UTC+8 Jürg Hutter wrote:<br/></div><blockquote class="gmail_quote" style="margin: 0 0 0 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;">Hi
<br>this keyword/method is intended to be used with the NewtonX software/interface.
<br>
<br>regards
<br>JH
<br>
<br>________________________________________
<br>From: <a href data-email-masked rel="nofollow">cp...@googlegroups.com</a> <<a href data-email-masked rel="nofollow">cp...@googlegroups.com</a>> on behalf of T deJ <<a href data-email-masked rel="nofollow">t.f....@gmail.com</a>>
<br>Sent: Friday, October 18, 2024 2:52 PM
<br>To: cp2k
<br>Subject: [CP2K:20780] OVERLAP_DELTAT
<br>
<br>Dear all,
<br>
<br>I would like to inquire about the function of OVERLAP_DELTAT. It appears to do disable most calculation steps. Am I correct in assuming that OVERLAP_DELTAT is meant to be used by a file IO based, external code, that feeds CP2K the two consecutive geometries in one coordinate file?
<br>
<br>Best regards,
<br>Tjeerd
<br>
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