- Nov 09, 2018
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Giovanni Bussi authored
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Giovanni Bussi authored
It should prepend the libplumed.so library with prefix -Wl, so as not to disturb NAMD makefile. (suggested by @jcphill)
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Giovanni Bussi authored
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- Nov 07, 2018
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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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Giovanni Bussi authored
See #407
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- Nov 05, 2018
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Giovanni Bussi authored
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Giovanni Bussi authored
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Drobot Viktor authored
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- Nov 03, 2018
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Giovanni Bussi authored
As of PLUMED 2.4.1, an error is triggered when aligning using a pdb file with zeros in the last column. I here fix the provided pdb file. See this: https://groups.google.com/d/msgid/plumed-users/4e2f69b8-1b2d-4bd3-a2e3-ecdfeef65d77%40googlegroups.com?utm_medium=email&utm_source=footer
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- Oct 24, 2018
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Giovanni Bussi authored
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- Oct 23, 2018
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Oct 22, 2018
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Giovanni Bussi authored
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- Oct 16, 2018
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carlocamilloni authored
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carlocamilloni authored
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- Oct 15, 2018
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carlocamilloni authored
close #396
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carlocamilloni authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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carlocamilloni authored
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Carlo Camilloni authored
* OpenMP changes to allow setting the number of threads from main code furthermore avoiding to call getenv more than once (it is faster) * setOpenMP: gromacs patch enabled to set the number of openMP threads * OpenMP: moved static variables inside a struct/function couple * OpenMP: removed api interface and gromacs patch * astyle
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- Oct 14, 2018
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carlocamilloni authored
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carlocamilloni authored
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carlocamilloni authored
defined then just use one thread
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- Oct 13, 2018
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carlocamilloni authored
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Carlo Camilloni authored
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carlocamilloni authored
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carlocamilloni authored
@giovannibussi right?
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- Oct 12, 2018
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carlocamilloni authored
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- Oct 10, 2018
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carlocamilloni authored
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carlocamilloni authored
- dumpgrid - pca - mds
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carlocamilloni authored
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carlocamilloni authored
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- Oct 08, 2018
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Giovanni Bussi authored
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Giovanni Bussi authored
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carlocamilloni authored
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Giovanni Bussi authored
LDFLAGS were overwritten by mistake by CFLAGS when doing coverage
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