- Apr 01, 2017
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Gareth Tribello authored
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- Feb 28, 2017
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Gareth Tribello authored
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- Feb 27, 2017
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Giovanni Bussi authored
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Giovanni Bussi authored
These files were related to the original implementation of RMSD. I think they have not been used for years, so I remove them. [makedoc]
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Giovanni Bussi authored
This is done only in the cmd interpreter This should make the code slightly fast.
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- Feb 23, 2017
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gtribello authored
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Gareth Tribello authored
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Gareth Tribello authored
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- Feb 22, 2017
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Gareth Tribello authored
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Gareth Tribello authored
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Gareth Tribello authored
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Gareth Tribello authored
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Giovanni Bussi authored
Notice that even though we assume c++11 to be available in PLUMED 2.4 I here protected the definitions so that they are only available with a c++11-supporting compilers (see comments in the code). This should not be necessary in other parts of the code, since autoconf is already checking that c++11 is supported.
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Giovanni Bussi authored
This requires a few fixes: - Replace -ansi with -std=c++11 in autoconf. - Add a check that c++11 is supported in autoconf. - Change flags for cppcheck. - Remove travis configurations that would fail. Additionally, I removed the check for 'explicit' keyword, which is not needed with C++11. Fixes #212
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Gareth Tribello authored
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- Feb 21, 2017
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Giovanni Bussi authored
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- Feb 20, 2017
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Gareth Tribello authored
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gtribello authored
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- Feb 19, 2017
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Gareth Tribello authored
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Gareth Tribello authored
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- Feb 14, 2017
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
This is a nasty workaround. Since FIT_TO_TEMPLATE needs to access forces stored in Atoms, it is necessary that they are kept up to date. With this fix, there is an extra function allowToAccessGlobalForces() that switch off an optimization that would otherwise make the forces wrong when running in parallel
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- Feb 11, 2017
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Gareth Tribello authored
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- Feb 10, 2017
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Gareth Tribello authored
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- Feb 08, 2017
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Gareth Tribello authored
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Carlo Camilloni authored
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- Jan 30, 2017
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Carlo Camilloni authored
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- Jan 29, 2017
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Carlo Camilloni authored
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Carlo Camilloni authored
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- Jan 26, 2017
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Jan 25, 2017
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Giovanni Bussi authored
Set pointer to NULL with plumed_finalize() (to avoid subsequent usage)
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- Jan 20, 2017
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Giovanni Bussi authored
addresses #213 [makedoc]
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Giovanni Bussi authored
addresses #213 [makedoc]
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- Jan 19, 2017
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Carlo Camilloni authored
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Carlo Camilloni authored
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- Jan 17, 2017
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Carlo Camilloni authored
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Carlo Camilloni authored
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