- 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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- Jun 25, 2014
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Giovanni Bussi authored
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- Jun 10, 2014
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Carlo Camilloni authored
grids are quite faster in this way, and I think that all the asserts were redoundant with those in the initialisation.
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- May 20, 2014
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Carlo Camilloni authored
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Carlo Camilloni authored
- accumulate standard histogram without using kernels - accumulate frequency instead of normalised probabilties - convert the histogram to a free energy
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- Oct 30, 2013
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Giovanni Bussi authored
The fix to #39 was incorrect since adding an int to a string does not print it. I also removed the redundant check that index is positive (it is unsigned)
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- Oct 25, 2013
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Carlo Camilloni authored
I removed an assert and added an if then plumed_merror close #39
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Carlo Camilloni authored
I removed an assert and added an if then plumed_merror close #39
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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 08, 2013
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Giovanni Bussi authored
I think the way pbc were applied was not correct (Fix #19).
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- Aug 04, 2013
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Massimiliano Bonomi authored
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- Jul 23, 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 13, 2013
- Jan 25, 2013
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Giovanni Bussi authored
An assertion is triggered when asking for values/derivatives outside the domain
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Giovanni Bussi authored
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