- Jun 04, 2014
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Giovanni Bussi authored
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Carlo Camilloni authored
@giovannibussi, which error did you get?
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Carlo Camilloni authored
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Carlo Camilloni authored
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- Jun 03, 2014
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Carlo Camilloni authored
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Carlo Camilloni authored
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Carlo Camilloni authored
1) default output file is histo.dat 2) --idw with --histo now select a subset of fields and ignore all the others the only missing feature at the moment is that it still do a free energy instead of a probability density because I have to add the calculation of the normalisation.
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
list of PP files is now generated automatically
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Giovanni Bussi authored
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Giovanni Bussi authored
autoconf was giving me errors. Since we are not using it anywhere, I temporarily comment this out
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- Jun 02, 2014
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Carlo Camilloni authored
- When using GRID and ADAPTIVE one must use SIGMA_MIN - GRID BINNING is now automated also in the case of adaptive gaussians - if GRID MESH is > 0.5 sigma there is a warning in the log (we should think of making this an error, but that will break two regtests, what do you think?)
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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Carlo Camilloni authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
Now the "nerd" part (stack trace) is dumped first, and is surrounded by ***
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Giovanni Bussi authored
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Giovanni Bussi authored
The Doxyfile was appended instead of being replaced at any new generation of the doc
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Carlo Camilloni authored
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Carlo Camilloni authored
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Carlo Camilloni authored
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Carlo Camilloni authored
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Carlo Camilloni authored
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Carlo Camilloni authored
without the results (also added the script for demuxing)
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Carlo Camilloni authored
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Carlo Camilloni authored
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Carlo Camilloni authored
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Carlo Camilloni authored
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Carlo Camilloni authored
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- May 30, 2014
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pd authored
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pd authored
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Massimiliano Bonomi authored
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Carlo Camilloni authored
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Carlo Camilloni authored
2. More residues in MOLINFO
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- May 29, 2014
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