Changeset 9b0dcd for doc/userguide/userguide.xml

Timestamp:

May 19, 2021, 7:06:29 PM (4 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.7.0, stable

Children:

20fc6f

Parents:

c98620

git-author:

Frederik Heber <frederik.heber@…> (05/19/21 19:03:24)

git-committer:

Frederik Heber <frederik.heber@…> (05/19/21 19:06:29)

Message:

Added potential-list argument to GeneratePotentialsAction.

• DOCU: Extended documentation on new option.
• TEST: Added a test case on this.

File:

• doc/userguide/userguide.xml (modified) (2 diffs)

doc/userguide/userguide.xml

@@ -2470 +2470 @@
           particle types the following action can be called:
           <programlisting>
-                  ... --generate-potentials
+                  ... --generate-potentials \
                   --fragment-charges 8 1 1
           </programlisting>
@@ -2478 +2478 @@
           subgraphs do not exists for the molecule H-O-H), and tersoff for the
           types O and H.
-        </para>
+          <programlisting>
+                  ... --generate-potentials \
+                  --fragment-charges 8 1 1 \
+                  --potential-list constant harmonic_bond harmonic_angle
+          </programlisting>
+          This would generate the potentials taken from the restricted set of 
+          listed potential names. If the give list is empty (i.e. the parameter
+          is unset), then by default all available potentials are used.</para>
         </section>
         <section xml:id="potentials.save-potential">