- May 27, 2019
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Giovanni Bussi authored
Solves a bug with METAD + TARGET + GRID_SPARSE See also #467
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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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- Nov 30, 2017
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carlocamilloni authored
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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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James Dama authored
* Added on-the-fly tracking of a METAD action's maximum bias. * Added nearest grid neighbor functions to tools/Grid * Added path barrier finding routine for gridded functions in tools/Grid. * Added on the fly tracking of transition bias quantities in METAD. * Added 1D and 2D METAD transition bias calculation regtests. * Added transition tempering to METAD. * Added regtest for transition tempering including TTBIASFACTOR, TTBIASTHRESHOLD, and TTALPHA. * Added regtest for transition tempering including TTBIASFACTOR, TTBIASTHRESHOLD, and TTALPHA. * Update MetaD.cpp removed trailing character, line 398
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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 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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- Mar 28, 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 30, 2016
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Giovanni Bussi authored
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- Sep 16, 2016
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Giovanni Bussi authored
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- Jul 29, 2016
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Giovanni Bussi authored
Given header file.h, it is good practice to have a file file.cpp that includes it as first header. I just fix the order of includes here. There are still several headers which do not have a corresponding cpp file, and also a few that are not included anywhere (which is obviosuly an error). I will fix them in a later commit.
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- May 02, 2016
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Gareth Tribello authored
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- Apr 26, 2016
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Carlo Camilloni authored
[makedoc]
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- Mar 02, 2016
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Giovanni Bussi authored
I cleaned up some of the (innocuous) warnings
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- Feb 29, 2016
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Giovanni Bussi authored
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- Jan 26, 2016
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Gareth Tribello authored
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- Jan 22, 2016
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Gareth Tribello authored
The original implementation I did of this was numerically unstable because a minimisation rather than a root finding algorithm was being used. In this new implementation I have also changed it so that you can specify an upper and lower bound in your search for a surface
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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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- Dec 14, 2015
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Gareth Tribello authored
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- Dec 06, 2015
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Gareth Tribello authored
Also made it so that you can change the origin in DumpMultiColvar and also fixed a bug in MultiColvarDensity
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- May 26, 2015
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Giovanni Bussi authored
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Giovanni Bussi authored
Related to: e1b845b4 Now the type is defined with a typedef so that it is easier to change it. I also set the type to size_t instead of unsigned long long. This should be more portable.
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- May 21, 2015
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Massimiliano Bonomi authored
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- Apr 09, 2015
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Giovanni Bussi authored
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- Mar 18, 2015
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Gareth Tribello authored
This only works for three dimensional grids
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- Sep 24, 2014
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Gareth Tribello authored
(cherry picked from commit ab739533)
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Gareth Tribello 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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- Jul 18, 2014
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Gareth Tribello authored
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