Activity for Joe
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Joe committed [7b3c08]
update examples folder and README file
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update examples folder and README file
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update examples folder and README file
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update examples folder and README file
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fixed issue when the local scale is kneighbor
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created serial version of LSDMap
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implemented new version of dmaps
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Merge branch 'master' of ssh://git.code.sf.net/...
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fixed .gro reader (3)
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changed README file
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Merge branch 'master' of ssh://git.code.sf.net/...
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fixed .gro reader
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new branch dmaps created
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fixed .gro reader (2)
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back to ctram.c as it is found 3-4 times faster
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implemented new version of dmaps
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changed README file
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created serial version of LSDMap
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new branch dmaps created
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fixed .gro reader (3)
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fixed .gro reader (2)
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fixed .gro reader
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updated according to the new version of dmaps
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back to ctram.c as it is found 3-4 times faster
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back to ctram.c as it is found 3-4 times faster
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LSDMap 2.0: little corrections in lsdm.py
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LSDMap 2.0: second commit
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LSDMap 2.0: first commit
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LSDMap 2.0: little corrections in lsdm.py
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slight name changes in lsdm.py and in metric.py
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writer implemented, lift opreation finished
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setup.py updated
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does not require cython anymore
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back to previous version of metric.py using fun...
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slight changes in metric.py
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implemented embed option for rlsdmap executable
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lifting operation implemented: use llsdmap -h
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xvg reader updated
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.xvg reader now converts degrees to radians whe...
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dihedral metric added, reader changed
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changed parameter of cmd metric, change maxsize...
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slight correction in rest.py
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xvg reader modified (does not convert angles to...
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read input structure file in serial or parallel...
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implemented restriction and lifting executables...
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Update README.txt
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fixed mpi version of rlsdmap
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config.ini updated for cmd metric
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improved performances of rmsd computation, chan...
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modified .xvg reader, now creates a log file wh...
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