- Aug 30, 2013
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Aug 29, 2013
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Davide Branduardi authored
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- Aug 26, 2013
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Gareth Tribello authored
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- Aug 16, 2013
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Davide Branduardi authored
Here you can use regex to refer to argument in a list For example in t1: TORSION ATOMS=5,7,9,15 t2: TORSION ATOMS=7,9,15,17 d1: DISTANCE ATOMS=7,17 COMPONENTS PRINT ARG=(d1.[xy]|t[0-9]) STRIDE=100 FILE=colvar FMT=%8.4f
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- Aug 13, 2013
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Giovanni Bussi authored
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- Aug 07, 2013
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Giovanni Bussi authored
Currently the .diff file is compulsory, the .config is not. So, the list of MD codes should be built looking at .diff files
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- Jul 31, 2013
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Giovanni Bussi authored
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- Jul 29, 2013
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Giovanni Bussi authored
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- Jul 28, 2013
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Giovanni Bussi authored
This is the standard path for linux distribution. Thus "make install" will fail unless run with root permission or unless PLUMED_PREFIX is explicitly set. I also fixed DYLIB path for mac (plumed path should be prepended)
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- Jul 25, 2013
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Giovanni Bussi authored
Fixes #7
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- Jun 13, 2013
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Carlo Camilloni authored
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- Jun 12, 2013
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Carlo Camilloni authored
to reflect the implementatin of INTERVAL and ALPHABETA
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- Jun 09, 2013
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Davide Branduardi authored
Now, for consistency, the time units of SIGMA in METAD for the ADAPTIVE=DIFF scheme is in timesteps to be consistent with the rest of the program. Documentation, printout and regtests are done.
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- May 31, 2013
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Giovanni Bussi authored
(suggested by candrewn@gmail.com)
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- May 21, 2013
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Giovanni Bussi authored
It was wasting space (especially the developer one) and anyway improperly formatted. Could be readded later if we fix formatting.
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- May 16, 2013
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Gareth Tribello authored
For some reason on my local linux machine doxygen does not replace the variables $extrastylesheet and $relpath in the PlumedUserHeader.html file. As we are not using these variables I deleted them from the header files. I think this will cause problems if we ever choose to use a custom css file for the documentation or if we use the CREATE_SUBDIRS option. I cannot imagine that we will ever use these options but I thought I would mention these problems in the log.
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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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- May 06, 2013
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Giovanni Bussi authored
I added a directory CHANGES where we can add short description of changes among versions. I use a separate file for each branch (v2.0.txt now, then we can add v2.1.txt in the master branch) so that it will allow merging from old branches to new branches as usual.
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- Apr 30, 2013
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Giovanni Bussi authored
ATOMS=1,4,7,10 can be replaced with ATOMS=1-10:3 (suggested by Paolo Raieri)
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- Apr 19, 2013
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Gareth Tribello authored
Webpage with modules is not generated if no modules have been installed
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Giovanni Bussi authored
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- Mar 26, 2013
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Gareth Tribello authored
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Giovanni Bussi authored
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- Mar 13, 2013
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davidebr authored
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- Mar 06, 2013
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Gareth Tribello authored
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Gareth Tribello authored
Two users have complained to me that the manual is rubbish. I subsequently found out that they had built the manual without first building the code. So they didn't have any of the keyword descriptions in the manual that compiled This manul now can't be compiled if the code isn't compiled. It seems that having lots of error messages generated when the manual compiles wrongly is not sufficient for some people!
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Gareth Tribello authored
This funcitonality allows you to add tutorials written in Doxygen and links to external websites. They are called How Tos though
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Gareth Tribello authored
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- Feb 02, 2013
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Gareth Tribello authored
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Gareth Tribello authored
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- Dec 10, 2012
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Giovanni Bussi authored
An output file was not set
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- Nov 28, 2012
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Giovanni Bussi authored
This allows proper documentation to be written. I added a regtest for INCLUDE but not one for LOAD, as dynamic loading could not be available
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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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- Nov 21, 2012
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Carlo Camilloni authored
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- Nov 19, 2012
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davidebr authored
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- Nov 12, 2012
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Giovanni Bussi authored
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