- Nov 06, 2014
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Carlo Camilloni authored
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- Oct 30, 2014
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Giovanni Bussi authored
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- Oct 28, 2014
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
(backported from master). @gtribello you might want to check if this is ok. Notice that without this fix histograms accumulated in a replica exchange simulation would include also data from other replicas, which is a bug. I thus think this commit should be applied also to v2.0 and v2.1. (cherry picked from commit 69578b2d)
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- Oct 27, 2014
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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
On my workstation --no-mpi makes plumed initialization much faster.
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- Oct 24, 2014
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Giovanni Bussi authored
Manual building calls "plumed" many times. Using the --no-mpi flag it is possible to skip initialization of MPI. On my workstation, this makes manual build way faster.
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Gareth Tribello authored
Action::registerKeywords and ActionPilot::registerKeywords were not called in WholeMolecules::registerKeywords (cherry picked from commit 53a5b885)
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- Oct 21, 2014
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
Fixed #114
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- Oct 15, 2014
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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
I had to remove the postproc.sh file added in v2.0 to post-process html files (in v2.1 this is done in go-doxygen) Conflicts: user-doc/Makefile
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Oct 13, 2014
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Giovanni Bussi authored
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Giovanni Bussi authored
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- Oct 12, 2014
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Giovanni Bussi authored
I added a few tabs to the html manual: Getting Started Tutorials Index of Actions
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Giovanni Bussi authored
Fixes #70
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- Oct 03, 2014
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Carlo Camilloni authored
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Carlo Camilloni authored
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- Oct 02, 2014
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Carlo Camilloni authored
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Giovanni Bussi authored
internal molfile plugins are now contained in PLMD namespace
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Giovanni authored
No "extern C" in molfile plugins
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- Oct 01, 2014
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Giovanni Bussi authored
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Giovanni Bussi authored
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Giovanni Bussi authored
I fixed a bug occurring when using replicas with different Hamiltonians (either lamdba dynamics or plumed -hrex branch). The acceptance was wrong when using a CV that depends on charges or masses (if charges or masses were changed in the Hamiltonian, respectively).
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Toni G authored
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Giovanni Bussi authored
related to #113
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Giovanni Bussi authored
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Giovanni Bussi authored
Closes #113
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- Sep 30, 2014
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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
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