- Jan 02, 2014
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Giovanni Bussi authored
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- Dec 17, 2013
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Giovanni Bussi authored
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- Dec 16, 2013
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Giovanni Bussi authored
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Giovanni Bussi authored
(cherry picked from commit 2c272e4a)
- Dec 11, 2013
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Gareth Tribello authored
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- Dec 10, 2013
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Gareth Tribello authored
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- Dec 09, 2013
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Giovanni Bussi authored
(cherry picked from commit e1d01e84)
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Giovanni Bussi authored
Allows to avoid verbose logging. The option is now used in user-doc/extract to simplify the generation of code-specific notes (cherry picked from commit 7152d46f) Conflicts: patches/patch.sh
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Gareth Tribello authored
This allows one to create information on the differences in the various patching procedures by executing: plumed patch -i This information is also put into the online manual (cherry picked from commit a273bb84)
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- Dec 06, 2013
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
I removed one page (WhatsNew) and merged it in the changelog page for 2.0
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- Nov 23, 2013
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Giovanni Bussi authored
Plumed paper has now a volume and page
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- Nov 18, 2013
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
Plumed.inc and Plumed.cmake are now regenerated each time. (cherry picked from commit cff67707)
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- Nov 14, 2013
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Giovanni Bussi authored
important changes should go first I think
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Giovanni Bussi authored
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Carlo Camilloni authored
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Carlo Camilloni authored
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- Nov 13, 2013
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Giovanni Bussi authored
Fixes #55
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Giovanni Bussi authored
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Gareth Tribello authored
Fixes #53
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Giovanni Bussi authored
Now give a warning in metadynamics if grid is adjusted to fit periodicity
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- Nov 08, 2013
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Giovanni Bussi authored
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Giovanni Bussi authored
Target shared library is deleted before attempting its creation. In this manner, if an error arises during compilation, the library will not be there. It is important to have LOAD FILE=xxx.cpp working properly. E.g. if there is an error during compilation, a possibly existing library is deleted.
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- Nov 07, 2013
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Giovanni Bussi authored
Now crashed when wrong keywords are used in COORDINATION SWITCH=...
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- Oct 31, 2013
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Giovanni Bussi authored
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- Oct 30, 2013
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Giovanni Bussi authored
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Giovanni Bussi authored
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Carlo Camilloni authored
when a domain of domain decomposition is empty.
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Giovanni Bussi authored
The fix to #39 was incorrect since adding an int to a string does not print it. I also removed the redundant check that index is positive (it is unsigned)
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Giovanni Bussi authored
Check for NULL pointers is postponed to class Atoms and is done only if there are local atoms. This fixes the case where GROMACS put zero atoms in a processor and assign a NULL pointer to positions
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Giovanni Bussi authored
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Carlo Camilloni authored
doesn't have this keyword (cherry picked from commit 57c32f90)
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- Oct 25, 2013
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Carlo Camilloni authored
I removed an assert and added an if then plumed_merror close #39
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- Oct 18, 2013
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
I fixed the usage of stopflag in driver so that it is clearer that the program stops at the end of the present step and not at the beginning of the following. This is obviously equivalent, but shows that scope of the flag can be reduced to be defined at the inner of the MD loop. Even if this is not a bux fix, I consider it as paired with fix #47 and I merge it to v2.0
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