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Draw Maxwell distributed velocities in ReactionAlgorithm::do_global_mc_move_for_particles_of_type #1770

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jonaslandsgesell opened this issue Jan 17, 2018 · 1 comment
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Draw Maxwell distributed velocities in ReactionAlgorithm::do_global_mc_move_for_particles_of_type #1770

jonaslandsgesell opened this issue Jan 17, 2018 · 1 comment

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@jonaslandsgesell
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jonaslandsgesell commented Jan 17, 2018 •
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In order to get kinetic observables right (e.g. the kinetic part of the stress tensor). Right now the velocities of particles are not changed. That means if particles are created without velocity they stay having no velocity. Static observables are not affected here.
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jonaslandsgesell commented Jan 30, 2018 •
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There is code on drawing from the maxwell distribution in deleted code in https://github.com/espressomd/espresso/pull/1793/files (maxwell_velocitiesC() )

@jonaslandsgesell jonaslandsgesell mentioned this issue Nov 26, 2018
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thepith added a commit to thepith/espresso that referenced this issue Nov 26, 2018
@thepith
set particle velocities in the RE MC move
a28b747 
Draw a random velocity according to the Maxwell-Boltzmann distribution.

Fixes espressomd#1770
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