- Oct 04, 2019
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carlocamilloni authored
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- Oct 02, 2019
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carlocamilloni authored
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- Apr 17, 2019
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carlocamilloni authored
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carlocamilloni authored
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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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- Mar 22, 2019
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
(backported from v2.5)
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Giovanni Bussi authored
no actual change
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- Feb 28, 2019
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Giovanni Bussi authored
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- Feb 08, 2019
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carlocamilloni authored
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- Dec 14, 2018
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Gareth Tribello authored
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- Dec 07, 2018
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Giovanni Bussi authored
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Giovanni Bussi authored
See #414
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Nov 14, 2018
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carlocamilloni authored
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- Nov 09, 2018
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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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- 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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- Oct 15, 2018
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carlocamilloni authored
update GMX2018.3 accordingly - including API check
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- Sep 21, 2018
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Giovanni Bussi authored
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- May 30, 2018
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Giovanni Bussi authored
see #227
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- May 07, 2018
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Giovanni Bussi authored
Thanks @hanatok!
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- Mar 22, 2018
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carlocamilloni authored
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carlocamilloni authored
it includes an additional modification to keep multisim in sync when using plumed
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carlocamilloni authored
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carlocamilloni authored
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Giovanni Bussi authored
When doing plumed patch -e gromacs2016.5 a match with e.g. gromacs2016.4 will be accepted (and issue a WARNING). Useful for automatized patching procedures. For instance, in gromacs-plumed package of MacPorts it won't be necessary to synchronize the Portfile with the exact plumed version.
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Giovanni Bussi authored
When doing plumed patch -e gromacs2016.5 a match with e.g. gromacs2016.4 will be accepted (and issue a WARNING). Useful for automatized patching procedures. For instance, in gromacs-plumed package of MacPorts it won't be necessary to synchronize the Portfile with the exact plumed version.
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- Mar 19, 2018
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Giovanni Bussi authored
Slow implementation, calls scripts everytime
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- Feb 28, 2018
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Giovanni Bussi authored
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Giovanni Bussi authored
Fixes #330
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Giovanni Bussi authored
Plumed.cmake is now treated as Plumed.inc
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- Feb 26, 2018
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Dec 15, 2017
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Giovanni Bussi authored
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