[Molecuilder-devel] [SCM] MoleCuilder branch Fix_VMGForces updated. v1.4.9-11-g2c2d023

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Sat Oct 25 13:06:27 CEST 2014


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The branch, Fix_VMGForces has been updated
       via  2c2d0231a7e6dfbdddb7194afd82d5edfb85e7c9 (commit)
       via  72c797595c5e794f89a48a37bca44c1f7834f850 (commit)
       via  1d9591267e76f1e0ced09ce7f8c309c384007294 (commit)
      from  307f15aa52220dace3dc7f00c0ad7699e70cd2c2 (commit)

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- Log -----------------------------------------------------------------
commit 2c2d0231a7e6dfbdddb7194afd82d5edfb85e7c9
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Sat Oct 25 12:49:02 2014 +0200

    Split off sampled_potential im VMGDataMap_t into separate fusion container.
    
    - this should correct the output in ..._VMGEnergy.dat

commit 72c797595c5e794f89a48a37bca44c1f7834f850
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Sat Oct 25 09:56:46 2014 +0200

    tempcommit: FragmentForces was missing in some parts.

commit 1d9591267e76f1e0ced09ce7f8c309c384007294
Author: Frederik Heber <heber at ins.uni-bonn.de>
Date:   Sat Oct 25 09:54:37 2014 +0200

    FIX: Shared libraries's Makefile.am rules are now consistent.
    
    - pkgconfig is just given once (in src/Makefile.am).
    - all have version information, including now pyMoleCuilder.so.

-----------------------------------------------------------------------

Summary of changes:
 .../AnalyseFragmentationResultsAction.cpp          |   12 +++--
 .../FragmentationAutomationAction.cpp              |    1 +
 src/Fragmentation/Makefile.am                      |    7 ---
 .../Containers/FragmentationLongRangeResults.cpp   |    9 +++-
 .../Containers/FragmentationLongRangeResults.hpp   |    4 ++
 src/Fragmentation/Summation/Containers/VMGData.cpp |    1 +
 src/Fragmentation/Summation/Containers/VMGData.hpp |    2 +-
 .../Summation/Containers/VMGDataMap.hpp            |   14 +++++--
 .../Summation/Converter/DataConverter.hpp          |   21 +++++++++-
 src/Fragmentation/Summation/Makefile.am            |    7 ---
 .../Summation/SetValues/FragmentForces.cpp         |    8 ++++
 .../Summation/SetValues/FragmentForces.hpp         |    2 +-
 src/Jobs/Makefile.am                               |    7 ---
 src/Makefile.am                                    |    2 +-
 src/UIElements/Makefile.am                         |   42 ++++++++++++++-----
 src/UIElements/Views/Qt4/Plotting/Makefile.am      |   30 +++++++++++++-
 16 files changed, 118 insertions(+), 51 deletions(-)


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