- Jul 01, 2020
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Giovanni Bussi authored
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- Jan 02, 2020
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Giovanni Bussi authored
cc: @gtribello
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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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- Jul 24, 2017
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carlocamilloni authored
[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 27, 2017
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Giovanni Bussi authored
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Giovanni Bussi authored
[makedoc]
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- Apr 25, 2017
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Giovanni Bussi authored
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Giovanni Bussi authored
Addresses #226
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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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- Mar 28, 2017
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Giovanni Bussi authored
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- Mar 13, 2017
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Giovanni Bussi authored
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- Mar 05, 2017
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Giovanni Bussi authored
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- Sep 13, 2016
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Sandro authored
Notice that as of now it is not fully integrated in the plumed reference/ module. However, it is possible to compute ERMSD from a given structure and to use it as a CV
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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 07, 2016
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Carlo Camilloni authored
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Carlo Camilloni authored
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- Jan 02, 2016
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Carlo Camilloni authored
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- Dec 31, 2015
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Carlo Camilloni authored
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- Jun 07, 2015
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Giovanni Bussi authored
[makedoc]
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- Apr 26, 2015
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Gareth Tribello authored
Changes were also needed as this feature was broken as a consequence of changes in no-buffer branch. Change to dynamic list deletes a check that is active when you compile with -DNDEBUG that is not really needed
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- Apr 19, 2015
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Davide Branduardi authored
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- Apr 13, 2015
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Giovanni Bussi authored
Allows to specify residues with chain id as letter, e.g. phi-A102 No letter implies first chain Fix #133
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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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- Aug 09, 2014
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Gareth Tribello authored
There were some problems with the documentation generation in SPRINT that are now fixed. Some routines in MultiReferenceBase were not in a very sensible place. I also changed PDB so that you can add stuff to the remarks.
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- Jun 25, 2014
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Giovanni Bussi authored
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- May 01, 2014
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Gareth Tribello 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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- Aug 31, 2013
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Gareth Tribello authored
The nature of the backbone is now specified by a class called MolDataClass. A warning is given about GLY residues
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- Apr 19, 2013
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Gareth Tribello authored
This involved splitting the code for reading an argument list from the code for interpretting it, adding a function for reading the ARG argument from the pdb and interpretting things like ARG=d1.* to ActionWithArgument and adding a routine to PDB which allows you to replace the old ARG=d1.* with the newly interpretted ARG=d1.x,d1.y,d1.z
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