Ignore:
Timestamp:
Apr 23, 2021, 8:34:11 PM (5 years ago)
Author:
Frederik Heber <frederik.heber@…>
Branches:
Candidate_v1.7.0, stable
Children:
ef0f8f
Parents:
addb51
git-author:
Frederik Heber <frederik.heber@…> (10/03/20 21:20:26)
git-committer:
Frederik Heber <frederik.heber@…> (04/23/21 20:34:11)
Message:

Extending PairCorrelation to correlate element and set of atoms.

  • one may also correlate an element with a selected set of atoms.
  • TEST: Added regression test case.
File:
1 edited

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  • doc/userguide/userguide.xml

    raddb51 rd9e1d1  
    17431743          of a hydrogen and an oxygen atom can be found within its distance
    17441744          interval. These data files can be used for plotting the distribution right away in order to check on the correlation between the elements.</para>
     1745          <para>The action may also be called with just a single element in the
     1746          option <emphasis>elements</emphasis>. This will then trigger a pair
     1747          correlation between all atoms of this element and the set of
     1748          currently selected atoms.</para>
    17451749        </section>
    17461750        <section xml:id="analysis.dipole-correlation">
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