- Oct 19, 2015
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Giovanni Bussi authored
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- Oct 16, 2015
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Giovanni Bussi authored
[makedoc] closes #158
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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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- Jan 27, 2015
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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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- Feb 13, 2014
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Carlo Camilloni authored
added PERIODIC=NO in the example because this keyword is compulsory.
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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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- Aug 24, 2013
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Giovanni Bussi authored
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- Apr 17, 2013
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Giovanni Bussi authored
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- Mar 06, 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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Giovanni Bussi authored
Namespaces are used now in bias/colvar/function/cltools
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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 25, 2012
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Gareth Tribello authored
to singular objects but that had names that were plural. This is resolved by this commit.
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Gareth Tribello authored
for specific tasks. To reserve a keyword use keys.reserve() and to then use it later use keys.user(). Currently the reserved keywords are ARG and PERIODIC.
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Gareth Tribello authored
independent of ActionWithValue. That is to say there is no longer a reference to an ActionWithValue object inside Value objects. I also changed many of the names of routines inside ActionWithValue. This is to try and make this class as transparent as possible to the end user. There is also extensive documentation for ActionWithValue
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- Feb 10, 2012
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Gareth Tribello authored
that I (Gareth) made and have now resolved
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Gareth Tribello authored
various actions below.
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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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- Jan 05, 2012
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Giovanni Bussi authored
so that aix compiler does not complain about an empty file
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- Jul 04, 2011
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Giovanni Bussi authored
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- Jul 02, 2011
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Giovanni Bussi authored
Added full documentation for all directives. I also made some small fix to manuals
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- Jun 17, 2011
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Giovanni Bussi authored
Implementation of periodicity as we discussed at the meeting. In the constructor of a collective variable or function is it possible to declare, for each value, if it is periodic or not. E.g., torsions will be periodic, distances not. The difference between two values (hypothetically, a stored value and the present one) can than be computed automatically using a Value::difference() method. If difference() is called for undeclared values, an error is raised. Thus, functions of unpredictable periodicity (e.g. MATHEVAL) should allow the user to specify the periodicity (or the non-periodicity) in the input line. See how I implemented the setting of periodicity in the available Colvars. The syntax is a bit baroque (I will probably simplify it), but it seems to work. I also added a check on the fact that two labels can not be equal.
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- Jun 16, 2011
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Giovanni Bussi authored
This is the draft version that I prepared and that we will use as a starting point. Still it is a bit dirty, and I will try to improve documentation and delete unused routines
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