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    <p>Hello Sharma,<br>
    </p>
    what sort of overlap are you trying to calculate, positional
    similarity, wavefunction overlap or something else?<br>
    <br>
    Regards<br>
    <br>
    Ben<br>
    <br>
    <div class="moz-cite-prefix">On 04/10/16 15:12, Sharma SRK Chaitanya
      Yamijala wrote:<br>
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cite="mid:CAJkCsLncBdZrwyKvUa0FajZraJvjgFqGXKyU2rwFF5rg7WwhMA@mail.gmail.com"
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      <div dir="ltr">Dear all,
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        <div>Is there any simple hack to calculate the overlap between
          two frames using DFTB+. I have gone through the source code
          and I found that it is dependent on many modules in lib_dftb
          like non-scc.f90, sk.f90, slako_cont.f90 ... and also on the
          lib_math modules like sort.f90, bisection.f90 (while
          calculating neighbor lists) etc. Any suggestion, please? </div>
        <div><br>
        </div>
        <div>Thank you for your help,</div>
        <div>Sincerely,</div>
        <div>Sharma.<br clear="all">
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                              <font face="arial, helvetica, sans-serif"
                                size="2">Sharma</font></font></div>
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                              face="arial, helvetica, sans-serif"><a
                                moz-do-not-send="true"
                                href="http://www.chem.rochester.edu/groups/huo/people/"
                                target="_blank">http://www.chem.rochester.edu/groups/huo/people/</a></font></div>
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      <pre wrap="">_______________________________________________
DFTB-Plus-User mailing list
<a class="moz-txt-link-abbreviated" href="mailto:DFTB-Plus-User@mailman.zfn.uni-bremen.de">DFTB-Plus-User@mailman.zfn.uni-bremen.de</a>
<a class="moz-txt-link-freetext" href="https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user">https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user</a></pre>
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    <br>
    <pre class="moz-signature" cols="72">-- 
      Dr. B. Hourahine, SUPA, Department of Physics,
    University of Strathclyde, John Anderson Building,
            107 Rottenrow, Glasgow G4 0NG, UK.
    +44 141 548 2325, <a class="moz-txt-link-abbreviated" href="mailto:benjamin.hourahine@strath.ac.uk">benjamin.hourahine@strath.ac.uk</a>

2013/4 THE Awards Entrepreneurial University of the Year
      2012/13 THE Awards UK University of the Year

   The University of Strathclyde is a charitable body,
        registered in Scotland, number SC015263</pre>
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