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Task #3096

Multiple time-stepping: correct coupling algorithms, virial calculation and energy output

Added by Christian Blau 3 months ago.

Status:
New
Priority:
Normal
Category:
core library
Difficulty:
uncategorized
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Description

In multiple time stepping schemes, forces are only applied every N integration steps and scaled with a factor N.

This clashes with weak coupling algorithms and energy output, where virial and energy are only calculated every M steps.

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