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Merge branch 'merging-plumed-file-tool'
This is a very big commit on the master branch. The way plumed write files (such as COLVAR/HILLS /etc) has been completely changed. We now have: * automatic tagging of the columns with an initial "#!FIELD" line * automatic backup when trying to overwrite files (a la gromacs) * restart is driven by a standalone line "RESTART" in the input file, which activate restart for all the other keywords. This may affect quite a bit the behavior of plumed. A few examples: * If you use metadynamics, HILLS format is slightly changed (there are tags now). Have a look at one of the newly produced HILLS file * COLVAR files are not anymore appended by default: you have to specify RESTART (on a separate line) * unpredicted bugs may have been introduced!
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- regtest/rt10/HILLS.reference 7 additions, 5 deletionsregtest/rt10/HILLS.reference
- regtest/rt11/HILLS.reference 7 additions, 5 deletionsregtest/rt11/HILLS.reference
- regtest/rt17/COLVAR.reference 3 additions, 1 deletionregtest/rt17/COLVAR.reference
- regtest/rt18/projections.reference 1 addition, 1 deletionregtest/rt18/projections.reference
- regtest/rt31/HILLS.reference 14 additions, 12 deletionsregtest/rt31/HILLS.reference
- regtest/rt8/ff.reference 1 addition, 1 deletionregtest/rt8/ff.reference
- src/BiasMetaD.cpp 158 additions, 93 deletionssrc/BiasMetaD.cpp
- src/GenericDumpAtoms.cpp 9 additions, 8 deletionssrc/GenericDumpAtoms.cpp
- src/GenericDumpDerivatives.cpp 19 additions, 25 deletionssrc/GenericDumpDerivatives.cpp
- src/GenericDumpForces.cpp 11 additions, 18 deletionssrc/GenericDumpForces.cpp
- src/GenericDumpProjections.cpp 10 additions, 20 deletionssrc/GenericDumpProjections.cpp
- src/GenericFlush.cpp 1 addition, 0 deletionssrc/GenericFlush.cpp
- src/GenericPrint.cpp 11 additions, 24 deletionssrc/GenericPrint.cpp
- src/Log.cpp 0 additions, 57 deletionssrc/Log.cpp
- src/Log.h 4 additions, 33 deletionssrc/Log.h
- src/PlumedException.cpp 10 additions, 0 deletionssrc/PlumedException.cpp
- src/PlumedFile.cpp 507 additions, 0 deletionssrc/PlumedFile.cpp
- src/PlumedFile.h 320 additions, 0 deletionssrc/PlumedFile.h
- src/PlumedMain.cpp 28 additions, 7 deletionssrc/PlumedMain.cpp
- src/PlumedMain.h 24 additions, 0 deletionssrc/PlumedMain.h
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