refined selection algorithms, added powerfule selection routines, added...
refined selection algorithms, added powerfule selection routines, added RangeSelection type which reduces the memory requirements for system selections
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- build.env/lens.sh 1 addition, 1 deletionbuild.env/lens.sh
- build.env/moldyn.sh 1 addition, 1 deletionbuild.env/moldyn.sh
- build.env/viper.sh 1 addition, 1 deletionbuild.env/viper.sh
- cmake/CMakeLists.txt.intern 1 addition, 0 deletionscmake/CMakeLists.txt.intern
- include/control/parameters.hpp 85 additions, 24 deletionsinclude/control/parameters.hpp
- include/sample/atoms.hpp 7 additions, 10 deletionsinclude/sample/atoms.hpp
- include/sample/atomselection.hpp 44 additions, 10 deletionsinclude/sample/atomselection.hpp
- include/sample/atomselection_reader.hpp 39 additions, 0 deletionsinclude/sample/atomselection_reader.hpp
- include/sample/center_of_mass.hpp 2 additions, 2 deletionsinclude/sample/center_of_mass.hpp
- include/sample/coordinate_set.hpp 4 additions, 4 deletionsinclude/sample/coordinate_set.hpp
- include/sample/coordinate_sets.hpp 3 additions, 4 deletionsinclude/sample/coordinate_sets.hpp
- include/scatter_devices/scatter_factors.hpp 3 additions, 3 deletionsinclude/scatter_devices/scatter_factors.hpp
- src/control/parameters.cpp 73 additions, 19 deletionssrc/control/parameters.cpp
- src/main/sassena.cpp 4 additions, 0 deletionssrc/main/sassena.cpp
- src/sample/atoms.cpp 20 additions, 79 deletionssrc/sample/atoms.cpp
- src/sample/atomselection.cpp 27 additions, 31 deletionssrc/sample/atomselection.cpp
- src/sample/atomselection_reader.cpp 122 additions, 0 deletionssrc/sample/atomselection_reader.cpp
- src/sample/center_of_mass.cpp 22 additions, 16 deletionssrc/sample/center_of_mass.cpp
- src/sample/coordinate_set.cpp 25 additions, 25 deletionssrc/sample/coordinate_set.cpp
- src/sample/coordinate_sets.cpp 12 additions, 9 deletionssrc/sample/coordinate_sets.cpp
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