Ignore:
Timestamp:
May 8, 2017, 1:54:49 PM (8 years ago)
Author:
Frederik Heber <frederik.heber@…>
Branches:
ForceAnnealing_goodresults, ForceAnnealing_tocheck
Children:
cb4037
Parents:
af78af
git-author:
Frederik Heber <heber@…> (03/28/17 09:33:11)
git-committer:
Frederik Heber <frederik.heber@…> (05/08/17 13:54:49)
Message:

Added four GeometryActions to convert atom positions into vectors.

  • added reverse switch to distance and plane to vector Actions.
  • InputToVector has coordinates to differentiate from position option. This eases use with CommandLineParser where option names need to be unique.
File:
1 edited

Legend:

Unmodified
Added
Removed
  • src/Actions/Makefile.am

    raf78af r5f869d7  
    6464  ${FILLACTIONSOURCE} \
    6565  ${FRAGMENTATIONACTIONSOURCE} \
     66  ${GEOMETRYACTIONSOURCE} \
    6667  ${GRAPHACTIONSOURCE} \
    6768  ${MOLECULEACTIONSOURCE} \
     
    8485  ${FILLACTIONHEADER} \
    8586  ${FRAGMENTATIONACTIONHEADER} \
     87  ${GEOMETRYACTIONHEADER} \
    8688  ${GRAPHACTIONHEADER} \
    8789  ${MOLECULEACTIONHEADER} \
     
    104106  ${FILLACTIONDEFS} \
    105107  ${FRAGMENTATIONACTIONDEFS} \
     108  ${GEOMETRYACTIONDEFS} \
    106109  ${GRAPHACTIONDEFS} \
    107110  ${MOLECULEACTIONDEFS} \
     
    285288  Actions/FragmentationAction/StoreSaturatedFragmentAction.def \
    286289  Actions/FragmentationAction/StructuralOptimizationAction.def
     290
     291GEOMETRYACTIONSOURCE = \
     292        Actions/GeometryAction/GeometryDistanceToVectorAction.cpp \
     293        Actions/GeometryAction/GeometryInputToVectorAction.cpp \
     294        Actions/GeometryAction/GeometryPlaneToVectorAction.cpp \
     295        Actions/GeometryAction/GeometryPositionToVectorAction.cpp
     296GEOMETRYACTIONHEADER = \
     297        Actions/GeometryAction/GeometryDistanceToVectorAction.hpp \
     298        Actions/GeometryAction/GeometryInputToVectorAction.hpp \
     299        Actions/GeometryAction/GeometryPlaneToVectorAction.hpp \
     300        Actions/GeometryAction/GeometryPositionToVectorAction.hpp
     301GEOMETRYACTIONDEFS = \
     302        Actions/GeometryAction/GeometryDistanceToVectorAction.def \
     303        Actions/GeometryAction/GeometryInputToVectorAction.def \
     304        Actions/GeometryAction/GeometryPlaneToVectorAction.def \
     305        Actions/GeometryAction/GeometryPositionToVectorAction.def
    287306
    288307GRAPHACTIONSOURCE = \
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