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Added functionality to OutputPDBFile so that projections can be written out
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- regtest/.gitignore 1 addition, 0 deletionsregtest/.gitignore
- regtest/dimred/rt-mds/analysis.0.embed.reference 700 additions, 0 deletionsregtest/dimred/rt-mds/analysis.0.embed.reference
- regtest/dimred/rt-mds/embed.reference 700 additions, 0 deletionsregtest/dimred/rt-mds/embed.reference
- regtest/dimred/rt-mds/plumed.dat 1 addition, 1 deletionregtest/dimred/rt-mds/plumed.dat
- src/analysis/AnalysisBase.h 11 additions, 4 deletionssrc/analysis/AnalysisBase.h
- src/analysis/AnalysisWithDataCollection.cpp 7 additions, 2 deletionssrc/analysis/AnalysisWithDataCollection.cpp
- src/analysis/AnalysisWithDataCollection.h 4 additions, 2 deletionssrc/analysis/AnalysisWithDataCollection.h
- src/analysis/EuclideanDissimilarityMatrix.cpp 2 additions, 1 deletionsrc/analysis/EuclideanDissimilarityMatrix.cpp
- src/analysis/LandmarkSelectionBase.h 3 additions, 3 deletionssrc/analysis/LandmarkSelectionBase.h
- src/analysis/OutputColvarFile.cpp 3 additions, 2 deletionssrc/analysis/OutputColvarFile.cpp
- src/analysis/OutputPDBFile.cpp 9 additions, 3 deletionssrc/analysis/OutputPDBFile.cpp
- src/analysis/ReadDissimilarityMatrix.cpp 8 additions, 2 deletionssrc/analysis/ReadDissimilarityMatrix.cpp
- src/dimred/DimensionalityReductionBase.cpp 6 additions, 18 deletionssrc/dimred/DimensionalityReductionBase.cpp
- src/dimred/DimensionalityReductionBase.h 2 additions, 1 deletionsrc/dimred/DimensionalityReductionBase.h
- src/dimred/ProjectNonLandmarkPoints.cpp 8 additions, 3 deletionssrc/dimred/ProjectNonLandmarkPoints.cpp
- src/reference/ReferenceArguments.cpp 3 additions, 2 deletionssrc/reference/ReferenceArguments.cpp
- src/reference/ReferenceArguments.h 1 addition, 1 deletionsrc/reference/ReferenceArguments.h
- src/reference/ReferenceConfiguration.cpp 5 additions, 4 deletionssrc/reference/ReferenceConfiguration.cpp
- src/reference/ReferenceConfiguration.h 1 addition, 1 deletionsrc/reference/ReferenceConfiguration.h
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