Changeset d91a8f


Ignore:
Timestamp:
Dec 27, 2022, 11:36:18 PM (3 years ago)
Author:
Frederik Heber <frederik.heber@…>
Branches:
Candidate_v1.7.0, stable
Children:
c53ae2
Parents:
fb08cc
git-author:
Frederik Heber <frederik.heber@…> (12/27/22 23:28:57)
git-committer:
Frederik Heber <frederik.heber@…> (12/27/22 23:36:18)
Message:

Added ClearHomologiesAction.

  • this is necessary during sampling where we accumulate a lot of homologies for the very same fragment.
  • DOC: Added doc string.
Files:
3 added
3 edited

Legend:

Unmodified
Added
Removed

  • doc/userguide/userguide.xml

    rfb08cc rd91a8f  
    22952295        container, <emphasis role="italic">overwriting</emphasis> the file
    22962296        <filename>homologies.dat</filename>.</para>
     2297        <programlisting>... --clear-homologies</programlisting>
     2298        <para>Finally, this clears the current contents of the homology
     2299        container.</para>
    22972300      </section>
    22982301      <section xml:id="homology.evaluate-stability">

  • src/Actions/GlobalListOfActions.hpp

    rfb08cc rd91a8f  
    105105  (MoleculeTranslate) \
    106106  (MoleculeVerletIntegration) \
     107  (PotentialClearHomologies) \
    107108  (PotentialFitPartialCharges) \
    108109  (PotentialGeneratePotentials) \

  • src/Actions/Makefile.am

    rfb08cc rd91a8f  
    426426
    427427POTENTIALACTIONSOURCE = \
     428  Actions/PotentialAction/ClearHomologiesAction.cpp \
    428429  Actions/PotentialAction/FitPartialChargesAction.cpp \
    429430  Actions/PotentialAction/GeneratePotentialsAction.cpp \
    … …  
    437438  Actions/PotentialAction/SavePotentialsAction.cpp
    438439POTENTIALACTIONHEADER = \
     440  Actions/PotentialAction/ClearHomologiesAction.hpp \
    439441  Actions/PotentialAction/FitPartialChargesAction.hpp \
    440442  Actions/PotentialAction/GeneratePotentialsAction.hpp \
    … …  
    448450  Actions/PotentialAction/SavePotentialsAction.hpp
    449451POTENTIALACTIONDEFS = \
     452  Actions/PotentialAction/ClearHomologiesAction.def \
    450453  Actions/PotentialAction/FitPartialChargesAction.def  \
    451454  Actions/PotentialAction/GeneratePotentialsAction.def \
Note: See TracChangeset for help on using the changeset viewer.