- Nov 14, 2016
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Giovanni Bussi authored
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Giovanni Bussi authored
[makedoc]
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- Nov 12, 2016
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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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- Nov 11, 2016
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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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- Nov 10, 2016
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Giovanni Bussi authored
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Giovanni Bussi authored
this is for plumedcheck
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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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- Nov 09, 2016
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Giovanni Bussi authored
[makedoc]
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- Nov 07, 2016
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Giovanni Bussi authored
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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
collectEnergy is a bool and was initialized to 0.0. That is equivalent to false, so it works correctly, but does not make much sense.
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Carlo Camilloni authored
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- Nov 04, 2016
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Carlo Camilloni authored
[makedoc]
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Carlo Camilloni authored
for 1D flexible bins (usefull for PBMetaD)
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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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Giovanni Bussi authored
[makedoc]
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Giovanni Bussi authored
I backported the optimized tools/Torsion.cpp from v2.3.
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Giovanni Bussi authored
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Giovanni Bussi authored
This implementation avoids taking inverse of numbers that could be zero.
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Gareth Tribello authored
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Gareth Tribello authored
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Gareth Tribello authored
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- Nov 03, 2016
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marcodelapierre authored
* Marco De La Pierre: PBMetad with HILLS written on disk * Marco De La Pierre: updated regtest for PBMetad with HILLS on disk
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Gareth Tribello authored
These two tests needed changing because periodicity was not incorporated correctly in the KDE estimation previously. As such the outputs given were wrong previously. The previous changed incorporated the periodicity correctly. This change is thus required as a result.
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- Nov 02, 2016
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Gareth Tribello authored
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- Oct 27, 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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- Oct 25, 2016
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Giovanni authored
Partial tempering/gromos
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Jan Domanski authored
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Jan Domanski authored
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Jan Domanski authored
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