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Last change
on this file since f39735 was f39735, checked in by Frederik Heber <heber@…>, 16 years ago |
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Merge branch 'MultipleMolecules'
Conflicts:
molecuilder/src/analyzer.cpp
molecuilder/src/atom.cpp
molecuilder/src/boundary.cpp
molecuilder/src/boundary.hpp
molecuilder/src/builder.cpp
molecuilder/src/config.cpp
molecuilder/src/datacreator.hpp
molecuilder/src/helpers.cpp
molecuilder/src/joiner.cpp
molecuilder/src/moleculelist.cpp
molecuilder/src/molecules.cpp
molecuilder/src/molecules.hpp
molecuilder/src/parser.cpp
molecuilder/src/parser.hpp
molecuilder/src/vector.cpp
molecuilder/src/verbose.cpp
merges:
- analyzer.cpp: all from HEAD, Hessian stuff
- atom.cpp: ostream & operator << (ostream &ost, const atom &a), 2nd param is const
- boundary.cpp: DoSingleStepOutput, VRMLSUffix, HULLEPSILON, Get_center_of_sphere(), Find_next_suitable_point_via_Angle_of_Sphere() and all of tesselation stuff from MultipleMolecules; DoRaster3DOutput, ~BoundaryLineSet(), ~Tesselation() from HEAD; write_raster3d_file with some changes from MultipleMolecules
- boundary.hpp: all from MultipleMolecules
- builder.cpp: all in ParseCommandLineOptions() from MultipleMolecules
- config.cpp: all from HEAD, is stuff from ThermoStat and ConstrainedMD
- datacreator.hpp: all from HEAD, Hessian stuff
- helpers.cpp: all from HEAD, ReAlloc() differed just by indentation
- moleculelist.cpp: all from MultipleMolecules, has to do with introduced molecule centers
- molecules.cpp: all from HEAD, was ConstrainedMD stuff
- molecules.hpp: ConstrainedMD and VerletForceIntegration from HEAD, moleculelist stuff from MultipleMolecules
- parser.cpp: all from HEAD, ColumnCounter is *ColumnCounter there
- parser.hpp: all from HEAD
- vector.cpp: completely from MultipleMolecules (more lines)
- verbose.cpp: all from HEAD
compilation fixes:
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-
Property mode
set to
100755
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File size:
912 bytes
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| 1 | SOURCE = atom.cpp bond.cpp boundary.cpp builder.cpp config.cpp element.cpp ellipsoid.cpp helpers.cpp molecules.cpp linkedcell.cpp moleculelist.cpp parser.cpp periodentafel.cpp vector.cpp verbose.cpp
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| 2 | HEADER = boundary.hpp defs.hpp ellipsoid.hpp helpers.hpp linkedcell.hpp molecules.hpp parser.hpp periodentafel.hpp stackclass.hpp vector.hpp
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| 3 |
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| 4 | bin_PROGRAMS = molecuilder joiner analyzer
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| 5 | molecuilderdir = ${bindir}
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| 6 | molecuilder_DATA = elements.db valence.db orbitals.db Hbonddistance.db Hbondangle.db
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| 7 | molecuilder_SOURCES = ${SOURCE} ${HEADER}
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| 8 | joiner_SOURCES = joiner.cpp datacreator.cpp element.cpp helpers.cpp periodentafel.cpp parser.cpp verbose.cpp datacreator.hpp helpers.hpp parser.hpp periodentafel.hpp
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| 9 | analyzer_SOURCES = analyzer.cpp datacreator.cpp element.cpp helpers.cpp periodentafel.cpp parser.cpp verbose.cpp helpers.hpp periodentafel.hpp parser.hpp datacreator.hpp
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| 10 |
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| 11 |
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| 12 | EXTRA_DIST = ${molecuilder_DATA}
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