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    doc
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    a0bcf1
     
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    18 years
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  FrederikHeber | 
  
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    m4
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    a0bcf1
     
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    18 years
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  FrederikHeber | 
  
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    tests
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    dac5c5
     
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    18 years
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  FrederikHeber | 
  
    added small test for NanoCreator
make clean install check reported …
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    AUTHORS
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    a0bcf1
     
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  FrederikHeber | 
  
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    autogen.sh
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  FrederikHeber | 
  
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    average.cpp
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  FrederikHeber | 
  
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    average_result.sh
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  FrederikHeber | 
  
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    BOSSEvaluate.pl.in
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    ChangeLog
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    compile
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    3.6 KB
    
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    a0bcf1
     
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  FrederikHeber | 
  
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    config2xyz.sh
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    954 bytes
    
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    77f1ae
     
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  FrederikHeber | 
  
    exit statement missing if command line options were missing
"exit 1" …
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    configure.ac
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    71dc4e
     
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  FrederikHeber | 
  
    new tiny program diagonalize prints eigenvalues&-vectors of 3x3 matrix …
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    convert2old.sh
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    convertpdb.sh
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    59 bytes
    
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    a0bcf1
     
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  FrederikHeber | 
  
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    CreateFromXYZ.sh.in
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    3.0 KB
    
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    76b3dc
     
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  FrederikHeber | 
  
    .csv files of linear response values are written on first level, …
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    CreateGaAs.c
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    a0bcf1
     
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    CreateH2.c
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    depcomp
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    diagonalize.c
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  FrederikHeber | 
  
    new tiny program diagonalize prints eigenvalues&-vectors of 3x3 matrix …
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    dynamicANOVA.sh.in
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    464c6d
     
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  FrederikHeber | 
  
    script files have paths (for bin programs used inside) now written …
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    gather_all_results.sh
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    5.8 KB
    
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    a0bcf1
     
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    gather_averaged_results.sh
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    a0bcf1
     
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    gather_result.sh
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    606 bytes
    
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    a0bcf1
     
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    GetPdb.c
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    a0bcf1
     
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    grep_shielding.sh
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    install-sh
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    Makefile.am
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    71dc4e
     
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  FrederikHeber | 
  
    new tiny program diagonalize prints eigenvalues&-vectors of 3x3 matrix …
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    meas2pdb.sh
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    2.0 KB
    
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    a0bcf1
     
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    mergesort.c
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    a0bcf1
     
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    mergesort.h
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    522 bytes
    
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    a0bcf1
     
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    NanoCreator.c
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    52.5 KB
    
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    a0bcf1
     
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    NanoCreator.h
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    a0bcf1
     
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    Nanotubes.pl.in
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    a0bcf1
     
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    NEWS
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    a0bcf1
     
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    README
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    a0bcf1
     
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    ReadSrcIon.c
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    a0bcf1
     
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  FrederikHeber | 
  
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    ReSequenceDX.pl.in
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    ccd028
     
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  FrederikHeber | 
  
    if no options are given, prints usage() and exit
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    specvisual.cfg
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    specvisual.net
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    133.4 KB
    
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    specvisualOnly.net
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    106.6 KB
    
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    stochastik.cpp
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    a0bcf1
     
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    suffix
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    152 bytes
    
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    a0bcf1
     
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    VibrAlyzer.c
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    6c96f4
     
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  FrederikHeber | 
  
    lots of small changes
-1 as either freq_start or freq_step lets …
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    visual.cfg
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    25.4 KB
    
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    visual.net
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    126.0 KB
    
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    a0bcf1
     
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    visualOnly.net
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    101.2 KB
    
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    a0bcf1
     
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  FrederikHeber | 
  
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