- Oct 15, 2018
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carlocamilloni authored
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carlocamilloni authored
close #380
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carlocamilloni authored
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carlocamilloni authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
This bug was reported by Carol Simoes and fixed by Javi Iglesias. The fix requires resetting a regtest.
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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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carlocamilloni authored
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carlocamilloni authored
update GMX2018.3 accordingly - including API check
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carlocamilloni 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
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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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carlocamilloni authored
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Carlo Camilloni authored
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carlocamilloni 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 11, 2018
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carlocamilloni authored
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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
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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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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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Giovanni Bussi 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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