- Oct 08, 2015
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Gareth Tribello authored
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Gareth Tribello authored
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- Oct 07, 2015
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Gareth Tribello authored
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- Oct 06, 2015
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Gareth Tribello authored
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- Oct 05, 2015
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Gareth Tribello authored
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- Sep 14, 2015
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Giovanni Bussi authored
This bug was introduced by me in 5e3aaf3a The barrier on multi replicas was due to overcaution and is only necessary when using WALKERS_MPI
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- Jul 29, 2015
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Giovanni Bussi authored
It seems that sometime on travis a regtest with mw-mpi crashes. I think this is because when using multiple processors per walker there is a problem in the opening of the old file (for read) and its backup (for write). Adding this barrier seems to make it more robust
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- Jul 01, 2015
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Jun 17, 2015
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Giovanni Bussi authored
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- May 26, 2015
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Giovanni Bussi authored
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Giovanni Bussi authored
Related to: e1b845b4 Now the type is defined with a typedef so that it is easier to change it. I also set the type to size_t instead of unsigned long long. This should be more portable.
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- May 21, 2015
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Massimiliano Bonomi authored
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- May 17, 2015
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Giovanni Bussi authored
Only add to the manual RESTART UPDATE_FROM and UPDATE_UNTIL in the actions for which this makes sense
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- May 05, 2015
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Giovanni Bussi authored
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- Apr 23, 2015
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Carlo Camilloni authored
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- Mar 12, 2015
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Giovanni Bussi authored
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- Mar 11, 2015
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Giovanni Bussi authored
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- Mar 05, 2015
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Giovanni Bussi authored
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- Feb 24, 2015
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Giovanni Bussi authored
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- Feb 22, 2015
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Omar Valsson authored
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Omar Valsson authored
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- Feb 06, 2015
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Giovanni Bussi authored
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- Feb 02, 2015
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Giovanni Bussi authored
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- Jan 27, 2015
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Giovanni Bussi authored
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- Jan 24, 2015
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Giovanni Bussi authored
Allow individual action to set restart, using RESTART=YES or RESTART=NO. By default, RESTART=AUTO, that means that global restart settings are used. Notice that this required to change the way OFile knows about restart. Indeed, if the file is linked to an action, it should use Action::getRestart instead of PlumedMain::getRestart.
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- Dec 10, 2014
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Giovanni Bussi authored
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- Sep 29, 2014
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Omar Valsson authored
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- Sep 22, 2014
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Giovanni Bussi authored
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- Sep 10, 2014
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Omar Valsson authored
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- Aug 29, 2014
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Giovanni Bussi authored
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- Aug 27, 2014
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Aug 08, 2014
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Gareth Tribello authored
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- Aug 04, 2014
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Giovanni Bussi authored
Work is correctly computed for METAD and MOVINGRESTRAINT, and subtracted to the effective energy drift (cherry picked from commit b450f1525a218e8181f3933779bb17e550384f61) Conflicts: src/bias/MetaD.cpp
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- Jul 18, 2014
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Gareth Tribello authored
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- Jun 25, 2014
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Giovanni Bussi authored
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- Jun 20, 2014
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Giovanni Bussi authored
I added the possibility to pass kbT from gromacs to plumed. To allow compatibility between old and new versions, I used the API number. Namely: gromacs checks that plumed API>1; if so, pass the temperature. KbT is only used in METAD so far (not in HISTOGRAM) Addresses #35
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- Jun 10, 2014
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Carlo Camilloni authored
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Carlo Camilloni authored
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