- Oct 09, 2019
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carlocamilloni authored
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- Nov 27, 2018
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Giovanni Bussi authored
I made a few more changes to setup.py in order to work with MacPorts. This allowed me to add a temporary Portfile for py-plumed that is now used in travis tests. The plan is to submit this Portfile to MacPorts after we release v2.5 Notice that one test is duplicated (python/test) in order to be available when using nosetests from python.
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- Dec 19, 2015
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Gareth Tribello authored
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- Jul 07, 2015
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Gareth Tribello authored
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- Jul 02, 2015
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Gareth Tribello authored
The old analysis class was reaching a stage where it was not fit for purpose. This is thus a total redesign in order to allow us to write better algorithms for dimensionality reduction that are flexible and easy for users to use. I have removed some functionality with this commit but I will re add it in subsequent commits Also added information on analysis classes to developer documentation
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- May 01, 2014
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Gareth Tribello authored
Also fixed how weights are dealt with in analysis and mapping weights were stored in different places in analysis and mapping this was confusing for developers. The weights are now always inside the individual ReferenceConfiguration objects
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- Oct 17, 2013
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Giovanni Bussi authored
This test shows a problem in reweighting (discussed in #48). In particular, histoA and histoB in this regtest should not come out identical as they do.
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- Apr 19, 2013
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Gareth Tribello authored
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