- Jun 15, 2020
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Giovanni Bussi authored
Fixes #582
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- Jan 11, 2019
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Travis CI User authored
This commit contains changes automatically generated by plumedbot on Travis-ci.
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- Mar 12, 2018
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Aug 16, 2017
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carlocamilloni authored
close #263
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- Jun 14, 2017
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Giovanni Bussi authored
After \par Examples there should be an empty line [makedoc]
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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
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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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- Apr 25, 2017
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Giovanni Bussi authored
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- Apr 21, 2017
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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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- Jan 05, 2016
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Giovanni Bussi authored
I added the possibility to personalize charge and mass units in the same way as length, energy, and time units were treated so far. Notice that since two new cmd() strings have been added to set units from an MD code, it is necessary to increase the API version to 4. I also added the appropriate developer documentation. Fixes #179
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- Aug 04, 2015
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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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- Nov 23, 2014
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Giovanni Bussi authored
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- Oct 15, 2014
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Giovanni Bussi authored
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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 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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- Dec 17, 2012
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Giovanni Bussi authored
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- Dec 12, 2012
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Giovanni Bussi authored
Since the SetupMolInfo action is used by other ones, I left it in core/. It is however registered in setup/, so that it can be excluded disabling that module. Moreover, I added a method so as to remove a friend statement in PlumedMain
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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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- Sep 24, 2012
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Giovanni Bussi authored
This will allow to parse units also in places different from SetupUnits. I also modified the Units class in such a manner that data is private and access is safer. This required to change all around accesses to its components.
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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 10, 2012
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Gareth Tribello authored
some of the English and in some cases writing new documentation. Also sorted a number of issues that arise because of the awkward formatting that is Doxygen requires
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Giovanni Bussi authored
Added keyword registering functions to Action, ActionWithValue, ActionWithArguments and ActionSetup. Also added variables so that the keyword list can be passed to the Actions (merged from gat2-reorder branch) Added keyword registering to all the action classes listed below (merged from gat2-reorder branch) Added register keywords functions to all the classes below (merged from gat2-reorder branch) Fixed the registerKeywords routines in the committed subroutines Made sure colvar is adding keywords for numerical derivatives Oops... genericDebug should register keywords for action pilot. It does now Added keyword registering for moving restraint Added keyword registering for NATURAL keyword COMPONENTS should have been registered as a flag and not an optional oops
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- Jan 09, 2012
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Giovanni Bussi authored
I tried to also add error messages, at least when I knew the meaning of the assertion...
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