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<th nowrap="nowrap" valign="BASELINE" align="RIGHT">Subject:
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<td>Re: "noprint" table argument not working</td>
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<th nowrap="nowrap" valign="BASELINE" align="RIGHT">Date: </th>
<td>Fri, 27 Oct 2017 08:57:37 +0200</td>
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<th nowrap="nowrap" valign="BASELINE" align="RIGHT">From: </th>
<td>Molpro (Klaus Doll) <a class="moz-txt-link-rfc2396E" href="mailto:molpro@molpro.net"><molpro@molpro.net></a></td>
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<th nowrap="nowrap" valign="BASELINE" align="RIGHT">To: </th>
<td>Martin Beseda <a class="moz-txt-link-rfc2396E" href="mailto:martin.beseda@vsb.cz"><martin.beseda@vsb.cz></a></td>
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Dear Martin,<br>
this has hopefully been fixed now, and it should be available with
the next patch of Molpro2015.<br>
As a workaround, something like:<br>
cat energs_n2 | grep -v PRINTBASES<br>
should work.<br>
<br>
best wishes<br>
Klaus<br>
<br>
<div class="moz-cite-prefix">On 25.10.2017 17:37, Molpro (Klaus
Doll) wrote:<br>
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<blockquote type="cite"
cite="mid:daf6cf8b-7056-e297-f7dc-41e00906c637@molpro.net">
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Dear Martin,<br>
yes, it looks like a bug. The command works for what is written
in the .out file, but not to the file used in the save command,<br>
energs_n2 .<br>
I'll keep you updated,<br>
best wishes<br>
Klaus<br>
<br>
<div class="moz-cite-prefix">On 24.10.2017 14:27, Martin Beseda
wrote:<br>
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<blockquote type="cite"
cite="mid:9d59de10-bc36-1b86-6a37-c299dd085f99@vsb.cz">
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Hello, <br>
<div class="moz-forward-container">
<p>i'd like to print my tables without column headers. I've
found the parameter "noprint" <a moz-do-not-send="true"
href="https://www.molpro.net/info/2015.1/doc/manual/node97.html">in
the user guide</a>, so I tried to use it like this:</p>
<p><br>
</p>
<p><tt>***,N2</tt><tt><br>
</tt><tt><br>
</tt><tt>memory,256,m; </tt><tt><br>
</tt><tt>gthresh,energy=1.0d-10 <br>
</tt></p>
<p><tt><br>
</tt><tt>RRN=1.103816d0</tt><tt><br>
</tt><tt>RINI=1.0d0</tt><tt><br>
</tt><tt>RINC=-0.01d0</tt><tt><br>
</tt><tt>RNMB=20</tt><tt><br>
</tt><tt><br>
</tt><tt>$mybases=[cc-pVDZ, cc-pVTZ, cc-pVQZ, cc-pV5Z,
cc-pV6Z, aug-cc-pVDZ, aug-cc-pVTZ, aug-cc-pVQZ,
aug-cc-pV5Z, aug-cc-pV6Z]</tt><tt><br>
</tt><tt><br>
</tt><tt>!===============</tt><tt><br>
</tt><tt>PROC CalcEnergs</tt><tt><br>
</tt><tt>!===============</tt><tt><br>
</tt><tt>DO baseind=1,#mybases</tt><tt><br>
</tt><tt>DO i=1,RNMB</tt><tt><br>
</tt><tt> !</tt><tt><br>
</tt><tt> RR=(RINI+i*RINC)/2.0d0</tt><tt><br>
</tt><tt> dist(i)=RR*2.0d0</tt><tt><br>
</tt><tt> basis=mybases(baseind)</tt><tt><br>
</tt><tt> !</tt><tt><br>
</tt><tt> symmetry,x,y,z</tt><tt><br>
</tt><tt> !</tt><tt><br>
</tt><tt> geometry={</tt><tt><br>
</tt><tt> ang</tt><tt><br>
</tt><tt> N 0.0d0 0.0d0 -RR</tt><tt><br>
</tt><tt> N 0.0d0 0.0d0 RR</tt><tt><br>
</tt><tt> }</tt><tt><br>
</tt><tt> !</tt><tt><br>
</tt><tt> WF,NELEC=14</tt><tt><br>
</tt><tt> rhf</tt><tt><br>
</tt><tt> rccsd(t),maxit=200</tt><tt><br>
</tt><tt> !</tt><tt><br>
</tt><tt> energ(i)=energy</tt><tt><br>
</tt><tt> !</tt><tt><br>
</tt><tt> printbases(i)=$mybases(baseind)</tt><tt><br>
</tt><tt>ENDDO</tt><tt><br>
</tt><tt> table,printbases,dist,energ</tt><tt><br>
</tt><tt> print,table</tt><tt><br>
</tt><tt> noprint,heading,title</tt><tt><br>
</tt><tt> type,csv</tt><tt><br>
</tt><tt> save,energs_n2</tt><tt><br>
</tt><tt>ENDDO</tt><tt><br>
</tt><tt> !</tt><tt><br>
</tt><tt>ENDPROC</tt><tt><br>
</tt><tt><br>
</tt><tt>!=============</tt><tt><br>
</tt><tt>! CALCULATION</tt><tt><br>
</tt><tt>!=============</tt><tt><br>
</tt><tt>CalcEnergs</tt><tt><br>
</tt><tt>---</tt><br>
</p>
<p>But the header is still included in the output file. I
suppose it's a bug. <br>
</p>
<p><br>
</p>
<p>Could you, please, have a look at it? Thank you very
much.</p>
<p><br>
</p>
<p>Best regards,</p>
<p>Martin Beseda<br>
</p>
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<pre class="moz-signature" cols="72">--
Klaus Doll
Molpro Quantum Chemistry Software
University of Stuttgart
Institute of Theoretical Chemistry
Pfaffenwaldring 55
D-70569 Stuttgart
Germany
</pre>
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