- Nov 05, 2019
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carlocamilloni authored
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- May 27, 2019
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Giovanni Bussi authored
Solves a bug with METAD + TARGET + GRID_SPARSE See also #467
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- Jan 14, 2019
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Giovanni Bussi authored
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- Jan 11, 2019
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Travis CI User authored
This commit contains changes automatically generated by plumedbot on Travis-ci.
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- Dec 13, 2018
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Giovanni Bussi authored
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- Dec 12, 2018
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Giovanni Bussi authored
cc: @valsson
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- Oct 15, 2018
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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
defined then just use one thread
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- Oct 13, 2018
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carlocamilloni authored
@giovannibussi right?
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- Jun 21, 2018
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Giovanni Bussi authored
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- Jun 20, 2018
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Giovanni Bussi authored
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- May 16, 2018
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Giovanni Bussi authored
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- Mar 18, 2018
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Massimiliano Bonomi authored
(cherry picked from commit ae6c8ee4)
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- Mar 12, 2018
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Mar 11, 2018
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Travis CI User authored
This commit contains changes automatically generated by plumedbot on Travis-ci.
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- Mar 01, 2018
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Giovanni Bussi authored
Only for RMSD TYPE=OPTIMAL
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- Feb 23, 2018
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Giovanni Bussi authored
It looks like there were many incorrect simd statements. In particular: - In all cases where a double was reduced, I added a reduction clause - In all cases where a Vector was reduced, I just removed the pragma This error lead to many failures in regtests when compiling with intel -O3. It looks we have to make sure a compiler with simd support is tested on travis-ci
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Giovanni Bussi authored
Here I fix something I think might be wrong. In particular, if safe==false && alEqDis it looks like dist was initialized to the correct value but then not used. From the current code coverage it looks this path was never tried. Anyway, I am pretty sure the old code does not make sense.
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- Feb 11, 2018
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Giovanni Bussi authored
I went through cppcheck warnings (style) and fixes those I understood. Mostly issues related to scope of variables.
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Travis CI User authored
This commit contains changes automatically generated by plumedbot on Travis-ci.
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- Feb 05, 2018
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carlocamilloni authored
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- Nov 30, 2017
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carlocamilloni authored
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carlocamilloni authored
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- Nov 22, 2017
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Giovanni Bussi authored
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- Nov 13, 2017
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carlocamilloni authored
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- Nov 06, 2017
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Giovanni Bussi authored
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carlocamilloni authored
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- Nov 03, 2017
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carlocamilloni authored
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- Nov 02, 2017
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Jana Pazurikova authored
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- Oct 11, 2017
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Giovanni Bussi authored
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- Sep 29, 2017
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Giovanni Bussi authored
I replaced a few pointers with vectors or arrays
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Omar Valsson authored
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- Sep 15, 2017
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Jana Pazurikova authored
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- Sep 14, 2017
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Jana Pazurikova authored
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Jana Pazurikova authored
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- Aug 31, 2017
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Giovanni Bussi authored
(should go with af0def1e)
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- Aug 30, 2017
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Giovanni Bussi authored
closes #244
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- Aug 28, 2017
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Giovanni Bussi authored
[makedoc] closes #268
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