- May 02, 2019
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carlocamilloni authored
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cristinapaissoni authored
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carlocamilloni authored
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- May 01, 2019
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Giovanni Bussi authored
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Giovanni Bussi authored
python module should always be called `plumed`, irrespectively of prefix/suffix. Notice that if installing multiple plumed versions side by side different python modules will anyway end up in different directories (`lib/program_name`).
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- Apr 30, 2019
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carlocamilloni authored
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carlocamilloni authored
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carlocamilloni authored
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- Apr 27, 2019
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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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- Apr 24, 2019
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Omar Valsson authored
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Omar Valsson authored
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Omar Valsson authored
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Omar Valsson authored
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Omar Valsson authored
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- Apr 17, 2019
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carlocamilloni authored
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carlocamilloni authored
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carlocamilloni authored
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- Apr 16, 2019
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carlocamilloni authored
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- Apr 15, 2019
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carlocamilloni authored
- tested for bias-exchange - now new force-flags in gromacs so HREX should work equally to 2018 - ENERGY collective varialbe should be tested..
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- Apr 13, 2019
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carlocamilloni authored
the new organisatoion of the gromacs source code allows simplifying our patch. Multi-sim is now tested at least for multiple walkers metad
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carlocamilloni authored
on a single aladp metadynamics (that works) more test are needed - parallel stuff - replica exchange - hrex - gpu
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- Apr 11, 2019
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carlocamilloni authored
this is not really working yet, but hopefully we are not far
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Giovanni Bussi authored
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carlocamilloni authored
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- Apr 09, 2019
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carlocamilloni authored
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Giovanni Bussi authored
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Giovanni Bussi authored
Function was very slow when variables were not present or had zero derivative
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- Apr 05, 2019
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Giovanni Bussi authored
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Giovanni Bussi authored
Especially when printing size_t it is better to use << operator which always uses the right size.
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Giovanni Bussi authored
`except:` might catch the wrong exception by mistake
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- Apr 03, 2019
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Giovanni Bussi authored
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carlocamilloni authored
this allows parsing the plumed input file by setting the number of atoms without the need of reading a trajectory file DRIVER does plumed initialisation and then stops @all this is meant for the plumed-nest, please have a look and comment
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- Apr 02, 2019
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Giovanni Bussi authored
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carlocamilloni authored
@chi2, @chi3, @chi4 and @chi5
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- Apr 01, 2019
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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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