Ignore:
Timestamp:
Jun 27, 2008, 9:14:58 PM (17 years ago)
Author:
Frederik Heber <heber@…>
Children:
74baec
Parents:
d7b1bf
git-author:
Frederik Heber <heber@…> (06/27/08 21:12:52)
git-committer:
Frederik Heber <heber@…> (06/27/08 21:14:58)
Message:

introduced shieldings to analyzer and joiner

both now handle pcp.sigma_all...csv files just as pcp.forces.all. Therefore the data format in pcp/perturbed.c was adapted a bit, as we need a header.
periodentafel.hpp got periodentafel and element class from molecules.hpp

File:
1 edited

Legend:

Unmodified
Added
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  • molecuilder/src/Makefile.am

    rd7b1bf r375dcf  
    11SOURCE = atom.cpp bond.cpp boundary.cpp builder.cpp config.cpp element.cpp helpers.cpp molecules.cpp moleculelist.cpp periodentafel.cpp vector.cpp verbose.cpp
    2 HEADER = boundary.hpp defs.hpp helpers.hpp molecules.hpp stackclass.hpp vector.hpp
     2HEADER = boundary.hpp defs.hpp helpers.hpp molecules.hpp periodentafel.hpp stackclass.hpp vector.hpp
    33
    44bin_PROGRAMS = molecuilder joiner analyzer
     
    66molecuilder_DATA = elements.db valence.db       orbitals.db Hbonddistance.db Hbondangle.db
    77molecuilder_SOURCES =  ${SOURCE} ${HEADER}
    8 joiner_SOURCES = joiner.cpp parser.cpp helpers.cpp verbose.cpp helpers.hpp parser.hpp datacreator.cpp datacreator.hpp
    9 analyzer_SOURCES = analyzer.cpp parser.cpp datacreator.cpp helpers.cpp verbose.cpp helpers.hpp parser.hpp datacreator.hpp
     8joiner_SOURCES = joiner.cpp datacreator.cpp element.cpp helpers.cpp periodentafel.cpp parser.cpp verbose.cpp datacreator.hpp helpers.hpp parser.hpp periodentafel.hpp
     9analyzer_SOURCES = analyzer.cpp datacreator.cpp element.cpp helpers.cpp periodentafel.cpp parser.cpp verbose.cpp helpers.hpp periodentafel.hpp parser.hpp datacreator.hpp
    1010
    1111
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