Changeset 5cdfac for doc/userguide

Timestamp:

Oct 1, 2016, 6:03:37 PM (9 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Fix_FitPotential_needs_atomicnumbers

Children:

f6f761

Parents:

2a28cd

git-author:

Frederik Heber <heber@…> (10/01/16 17:56:45)

git-committer:

Frederik Heber <heber@…> (10/01/16 18:03:37)

Message:

Added BondSetDegreeAction for manipulating bond degrees.

File:

• doc/userguide/userguide.xml (modified) (1 diff)

doc/userguide/userguide.xml

@@ -939 +939 @@
    found between any pair of these is removed.</para>
         </section>
+        <section xml:id="bond.set-bond-degree">
+          <title xml:id="bond.set-bond-degree.title">Setting the bond degree manually </title>
+          <para>The bond degrees are usually automatically set to fulfill the 
+          valency constraints of each bond partner. However, degrees can also be 
+          set manually for a set of selected atoms. Note that the degree is set
+          to the given value for all bonds in between any pair of atoms within
+          the set.</para>
+          <programlisting>... --set-bond-degree 2</programlisting>
+          <para>Similarly, if more than two atoms are selected, then all bonds
+   found between any pair of these are modified.</para>
+        </section>
         <section xml:id="bond.save-bonds">
           <title xml:id="bond.save-bonds.title">Saving bond information </title>