- Apr 21, 2017
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Giovanni Bussi authored
This is a huge commit, applying indentation to the whole code. See #215
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Giovanni Bussi authored
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Giovanni Bussi authored
I added a script located in src that applies astyle to all source files and add them to git. This script can be invoked as `make astyle`. File .astyle.options contains the astyle command line options See #215
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Giovanni Bussi authored
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Gareth Tribello authored
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- Apr 13, 2017
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Gareth Tribello authored
Prior to this change a misuse of the LOWMEM keyword could cause segfaults. Now these cases crash with an error.
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Giovanni Bussi authored
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- Apr 12, 2017
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Gareth Tribello authored
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Gareth Tribello authored
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Giovanni Bussi authored
MOVINGRESTRAINT with TORSION
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Giovanni Bussi authored
It is difficult to remove the main timer, but at least I added a timer that makes sense Fixes #194
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- Apr 07, 2017
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Giovanni Bussi authored
[makedoc]
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Gareth Tribello authored
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Carlo Camilloni authored
[makedoc]
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- Apr 06, 2017
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
- Vim syntax for the awk file - Some information is given once per file now. - Registration of vessels and metrics is also logged. - Check that .h files do not include: * inc files (they are temporary) * external .h file (they might be not available when using plumed library). The latter is only notified now, since it must be accepted for mpi.h - Separately store documented actions/cltools/other. - Check that module type is correct. - Extensive doc for each check added.
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Apr 05, 2017
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Gareth Tribello authored
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- Apr 04, 2017
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Giovanni Bussi authored
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- Mar 28, 2017
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Mar 16, 2017
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Giovanni Bussi authored
This reverts commit 37001778.
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Giovanni Bussi authored
This reverts commit 8dab6d81.
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Giovanni Bussi authored
(sorry)
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Giovanni Bussi authored
It now detects if different replicas have different bias-factor
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- Mar 04, 2017
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Gareth Tribello authored
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- Feb 28, 2017
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Giovanni Bussi authored
removed mention to a bug that is not actually there
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- Feb 27, 2017
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Giovanni Bussi authored
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- Feb 21, 2017
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Giovanni Bussi authored
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- Feb 14, 2017
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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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- Jan 26, 2017
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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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