- Sep 11, 2014
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Giovanni Bussi authored
Added PDF manual. I had to reorganize a bit the documentation to make it more linear. In particular, I assigned each of the previously "dangling" pages as subpage of another one (e.g. DEBUG keyword). Additionally, I changed a bit the way MD-specific instructions are linked and added some comment about the PDF manual in the introduction. The most important change is that I am not using the Layout anymore since it was difficult to keep it in sync. Now, in the html version, only the left-side tree is visible, and the tabs disappeared. I don't think this is a big issue but we might try to solve it. PDF manual is still a bit buggy: some links are not properly resolved and images are not shown. I think we can solve these issues later. Addresses #101
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Giovanni Bussi authored
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- Jun 25, 2014
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Gareth Tribello authored
I split up the section on the input syntax and rewrote the introductions to plumed and to collective variables in general
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- Jun 24, 2014
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Gareth Tribello authored
This commit resolves issue #97 However, I also changed the layout of the colvar page on the manual so I thought I would push it on a branch before merging it into master. Let me know if there are any objections to the changes I have made.
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- Jun 09, 2014
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Carlo Camilloni authored
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- Jun 08, 2014
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Gareth Tribello authored
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- Jun 04, 2014
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Giovanni Bussi authored
there where random "@" appearing here and there. Fixed now
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Giovanni Bussi authored
"extract" is way faster. Additionally, spaces are better preserved in the manual (especially in indented input files)
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- Jun 02, 2014
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Giovanni Bussi authored
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Carlo Camilloni authored
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Carlo Camilloni authored
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- May 29, 2014
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Gareth Tribello authored
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- May 21, 2014
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Giovanni Bussi authored
If "plumed" executable is not available, sourceme.sh file is sourced
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- May 01, 2014
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Gareth Tribello authored
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- Jan 03, 2014
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Giovanni Bussi authored
I updated doxyfile to latest doxygen version. I also enables the search engine. This required a small fix on the extract script so that "action" pages receive a proper name for the index.
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- Dec 10, 2013
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Gareth Tribello authored
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- Dec 09, 2013
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Giovanni Bussi authored
Allows to avoid verbose logging. The option is now used in user-doc/extract to simplify the generation of code-specific notes (cherry picked from commit 7152d46f) Conflicts: patches/patch.sh
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Gareth Tribello authored
This allows one to create information on the differences in the various patching procedures by executing: plumed patch -i This information is also put into the online manual (cherry picked from commit a273bb84)
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Giovanni Bussi authored
Allows to avoid verbose logging. The option is now used in user-doc/extract to simplify the generation of code-specific notes
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- Dec 07, 2013
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Gareth Tribello authored
This allows one to create information on the differences in the various patching procedures by executing: plumed patch -i This information is also put into the online manual
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- Dec 06, 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 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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- 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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- Mar 26, 2013
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Gareth Tribello authored
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- Mar 06, 2013
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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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- Dec 10, 2012
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Giovanni Bussi authored
An output file was not set
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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 19, 2012
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Giovanni Bussi authored
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Giovanni Bussi authored
It could be that this problem was coming from my specific awk version. Anyway, now it seems more robust.
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- Sep 02, 2012
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Gareth Tribello authored
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- Aug 16, 2012
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Gareth Tribello authored
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- Jul 12, 2012
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Giovanni Bussi authored
For otherwise uncategorized actions
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Giovanni Bussi authored
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Gareth Tribello authored
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- Jul 06, 2012
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Giovanni Bussi authored
Too many files were opened.
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- Apr 17, 2012
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Gareth Tribello authored
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- Mar 02, 2012
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Gareth Tribello authored
more robust and extendible. Also shifted function creation to MultiColvar. This makes ActionWithDistribution more reusable
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- Feb 10, 2012
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Gareth Tribello authored
having DISTANCE ANGLE etc which each one being a link you have DISTANCE calculate the distance between a pair of atoms ANGLE calculate the angle between three atoms etc each one of DISTANCE, ANGLE and so on is still a link to the more detailed description
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