- May 25, 2015
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Davide Branduardi authored
removed condition that seemed to create very large support in sum hills calculation and resulting into a very large computational time. Credits to Carolyn Phillips from the mailing list.
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- Dec 02, 2014
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Giovanni Bussi authored
(backported from master, see commit 92717cb6)
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- Oct 11, 2014
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Gareth Tribello authored
Also fixed bug in KernelFunctions
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- Sep 05, 2014
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Gareth Tribello authored
In doing so I fixed a number of bugs in the KernelFunctions class. The derivatives calculated by the evaluate function in this class were wrong. Tests still need to be done to check whether or not the derivatives are correct when non diagonal metrics are used.
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- Aug 30, 2014
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Gareth Tribello authored
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- Aug 27, 2014
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Giovanni Bussi authored
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- Jun 25, 2014
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Giovanni Bussi authored
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- Jun 10, 2014
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Carlo Camilloni authored
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- May 29, 2014
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Carlo Camilloni authored
(cherry picked from commit 5102dc33)
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- May 28, 2014
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Carlo Camilloni authored
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- Oct 09, 2013
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Giovanni Bussi authored
I set it to 2 instead of 2.0, so that it will not be necessary to update it
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- Aug 04, 2013
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Giovanni Bussi authored
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- May 02, 2013
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Davide Branduardi authored
and sum_hills: added --outfile and --outhisto
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- Apr 17, 2013
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Giovanni Bussi authored
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- Mar 06, 2013
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Gareth Tribello authored
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- Jan 23, 2013
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Jan 16, 2013
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Gareth Tribello authored
If you want to but a plumed_assert in a loop you should now use plumed_dbg_assert / plumed_dbg_massert. This will not be included in the code if you compile with -DNDEBUG
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- Jan 09, 2013
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Giovanni Bussi authored
I used cppcheck --enable=all.
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- Jan 03, 2013
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Giovanni Bussi authored
When using IFile or OFile only, it is sufficient to include one of the two header files.
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- Dec 17, 2012
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Giovanni Bussi authored
Also, consistently: PlumedIFile -> IFile PlumedOFile -> OFile PlumedFileBase -> FileBase
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- Dec 10, 2012
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Giovanni Bussi authored
The guard "ifndef/define" has been updated so as to also include the module name. This is important as it will allow files with the same name to be used in different directories. Modification was done automatically using header.sh - just run it routinely to keep names consistent
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- Dec 06, 2012
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Gareth Tribello authored
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Giovanni Bussi authored
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