- Mar 23, 2015
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Giovanni Bussi authored
Same as 423d49bf applied to gmx 5.0 Needs gromacs to be repatched
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Giovanni Bussi authored
Workaround for #132. Notice that gromacs wants something like -0.5*f*x, whereas plumed provides something like -f*x. Additionally, for not so clear reasons, when using plumed without computing ENERGY the virial contribution from plumed was completely ignored. There are two workarounds in this patch: 1. In case plumed does not ask gromacs to compute ENERGY, the plumed contribution to virial is stored on a separate tensor and added to the gromacs one at the end 2. In case plumed asks gromacs to compute ENERGY, the a temporary tensor is created containing twice the gromacs virial and passed to plumed. The virial is then set to half of it. This should solve both the issues discussed in #132 Needs gromacs to be repatched.
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Mar 21, 2015
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Giovanni Bussi authored
Copy only necessary files [makedoc]
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- Mar 20, 2015
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
(pointed out by Pratyush Tiwary) [makedoc]
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- Mar 16, 2015
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
[makedoc]
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- Mar 12, 2015
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
Now items are properly ordered in the pdf
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Giovanni Bussi authored
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- Mar 11, 2015
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Giovanni Bussi authored
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Giovanni Bussi authored
I added some info about the automatic gzipping of directories.
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Giovanni Bussi authored
Tutorial files are now stored as directories, making merge easier. [makedoc]
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Giovanni Bussi authored
I made it such that if one put an "additional file" that is actually a directory the directory is targzipped when compiling the manual. This allows to keep in the git repository real files (instead of tarballs) which are then easier to merge.
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
Now it sets the environment properly also in linux
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
[makedoc] Conflicts: user-doc/figs/belfast-2-ala.png user-doc/figs/belfast-2-transition.png (these figures were shrinked in both munster and cambridge branches)
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Giovanni Bussi authored
This reverts commit d00cb5a0.
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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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Carlo Camilloni authored
[makedoc]
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Carlo Camilloni authored
[makedoc]
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Carlo Camilloni authored
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Carlo Camilloni authored
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Carlo Camilloni authored
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Giovanni Bussi authored
[makedoc]
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- Mar 10, 2015
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Giovanni Bussi authored
1ns US 10ns metd [makedoc]
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Giovanni Bussi authored
[makedoc]
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