- Nov 15, 2017
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Giovanni Bussi authored
Messages related to NOPBC keyword were wrong Thanks to @valsson
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- Jun 28, 2017
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Giovanni Bussi authored
This reverts commit fba71ad4. Looks like it fails on linux. I have to investigate the problem, meanwhile I revert
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Giovanni Bussi authored
Since isnan() is only available in c++11, I prefer not to backport this so v2.3
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- Jun 08, 2017
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Giovanni Bussi authored
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- Jun 06, 2017
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Giovanni Bussi authored
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- May 11, 2017
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Gareth Tribello authored
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- May 04, 2017
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Giovanni Bussi authored
Notice that almost all files were updated with the astyle commit 2813d759 Year in header is here updated to 2017
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- Apr 26, 2017
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Giovanni Bussi authored
I replaced verbatim endverbatim with plumedfile endplumedfile in (hopefully) all the places where it was appropriate.
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Giovanni Bussi authored
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- Apr 25, 2017
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Giovanni Bussi authored
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- Apr 21, 2017
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Giovanni Bussi authored
For a few actions that typically write long lists, I fixed the format to write only 25 fields per line.
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Carlo Camilloni authored
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Giovanni Bussi authored
This is a huge commit, applying indentation to the whole code. Notice that this commit is made on master branch after having merged with -s ours from branch v2.3 See #215
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Giovanni Bussi authored
This is a huge commit, applying indentation to the whole code. See #215
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- Jan 08, 2016
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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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- Jul 01, 2015
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Giovanni Bussi authored
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- Mar 11, 2015
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Giovanni Bussi authored
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- Mar 05, 2015
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Giovanni Bussi authored
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- Feb 18, 2015
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Giovanni Bussi authored
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
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Giovanni Bussi authored
Old behavior can be recovered with NOPBC. Notice that this is going to break backward compatibility!! See #128
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- Aug 27, 2014
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Giovanni Bussi authored
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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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- Oct 15, 2013
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Giovanni Bussi 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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- Apr 17, 2013
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Giovanni Bussi authored
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- Mar 26, 2013
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Giovanni Bussi authored
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- Jan 10, 2013
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Gareth Tribello authored
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- Dec 10, 2012
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Giovanni Bussi authored
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- Dec 06, 2012
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Giovanni Bussi authored
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- Nov 23, 2012
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Giovanni Bussi authored
All the source code have been moved into subdirectories of src/ Some of these subdirectories are treated in a special manner: src/wrapper contains the wrappers for MD codes src/main contains the main.cpp file src/config contains files generated without compilation, just based on configuration info src/lib is the place where executables and libraries are put at the end src/cltools contains the command line tools src/tools contains plumed tools (reusable classes) src/basic contains PlumedMain, Action hierarchy and other basic stuff src/multicolvar contains MultiColvar stuff src/imd is the interactive MD (still not totally portable). Notice that, to allow easy inclusion of .h files from other modules, I link all the directories in src/ into module directory. In this way it is possible e.g. to write #include "config/PlumedConfig.h" See src/README and src/basic/Makefile to understand how inter-module dependencies are set
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- Jul 20, 2012
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Giovanni Bussi authored
as suggested by Gareth
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- Jul 19, 2012
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Giovanni Bussi authored
I added a PEOPLE file containing list of authors and a script (src/header.sh) which applies the Licence to all the source files. It can be applies multiple times (it automatically deletes the present header and replace it with the new one). Thus, to change the header, edit header.sh and execute it.
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- Jul 12, 2012
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Gareth Tribello authored
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- Feb 14, 2012
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Gareth Tribello authored
to reflect the fact that these routines return one mass and one charge.
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Gareth Tribello authored
the fact that one position is returned by this routine
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