Handles computing energies and forces for listed interactions.
Located here is the the code for
- computing energies and forces for interactions between a small number of particles, e.g bonds, position restraints and listed non-bonded interactions (e.g. 1-4).
- high-level functions used by mdrun for computing a set of such quantities
- managing thread-wise decomposition, thread-local buffer output, and reduction of output data across threads.
- Author
- Mark Abraham mark..nosp@m.j.ab.nosp@m.raham.nosp@m.@gma.nosp@m.il.co.nosp@m.m
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file | listed-forces.h |
| This file contains declarations of high-level functions used by mdrun to compute energies and forces for listed interactions.
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