- Mar 30, 2016
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Giovanni Bussi authored
With this change it looks I can solve an issue on my workstation that has been reported on the mailing list (multiple linking of Plumed.o object)
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Giovanni Bussi authored
some files where not up to date
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Mar 18, 2016
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Gareth Tribello authored
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Gareth Tribello authored
Gaussian kernel functions were normalised incorrectly. This should only cause a multiplicative scaling of the histograms calculated using the HISTOGRAM action
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Giovanni Bussi authored
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- Mar 11, 2016
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Giovanni Bussi authored
This reverts commit dcd4a63d.
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Giovanni Bussi authored
This reverts commit 3758d552.
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
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- Mar 10, 2016
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Carlo Camilloni authored
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- Mar 09, 2016
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Carlo Camilloni authored
[makedoc]
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Carlo Camilloni authored
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Carlo Camilloni authored
this is usually not important, but for the case (like with metainference) in which you have a bias that is applied on a large number of arguments, then it was getting very slow
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- Mar 08, 2016
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Giovanni Bussi authored
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- Mar 02, 2016
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Giovanni Bussi authored
This reverts s hunk in commit 417f97b8 that triggers a bug in my compiler
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Giovanni Bussi authored
I cleaned up some of the (innocuous) warnings
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Giovanni Bussi authored
I think there was a typo here @gtribello
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Giovanni Bussi authored
the compiler of my mac says this call to pow is ambiguous
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- Feb 29, 2016
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
The new message class (information) is treated as (style). I temporarily add two travis test to allow 1.71 to fail.
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
[makedoc]
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- Feb 28, 2016
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Giovanni Bussi authored
I modified extensively the travis file to allow multi-os support and to use more recent UBUNTU: - I upgraded most of the tests to UBUNTU trusty (with gcc 4.8) - For a couple of tests I switch to UBUNTU precise (with gcc 4.6) to be sure we keep compatibility with older compilers - I removed clang tests from UBUNTU and added OSX tests (both serial and MPI) Since UBUNTU trusty comes with doxygen 1.8.6, I install doxygen 1.8.7 from source. Notice that this was solved in UBUNTU precise by using an external ppa database. I prefer install from source here since in this way we can easily upgrade doxygen to use latest features. [makedoc]
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Giovanni Bussi authored
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Gareth Tribello authored
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- Feb 27, 2016
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Gareth Tribello authored
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Gareth Tribello authored
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- Feb 25, 2016
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Giovanni Bussi authored
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- Feb 24, 2016
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
[makedoc]
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- Feb 17, 2016
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Giovanni Bussi authored
This is related to the closed issue #162 I think that with standard usage of PLUMED all the actions should be active at step zero, and so all the masses and charges should be requested to codes like NAMD or OPENMM. Anyway,this fix will double check for it adding an overhead only at the first simulation step.
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Giovanni Bussi authored
Some time ago I made one build allowed to fail. After c9e9c366 (see also #183) it looks like the issue is solved, so I put the build back in place.
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- Feb 16, 2016
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Giovanni Bussi authored
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Giovanni Bussi authored
for DEBUG logActivity and logRequestedAtoms
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