Cluster moves with patches

Merged
#419 · Created  · Last updated

Merged pull request

Merged in clusters_enthalpy (pull request #419)

548a827·Author: ·Closed by: ·2018-03-06

Description

This adds hpmc.update.clusters() to perform cluster moves according to the geometric cluster algorithm by Liu and Luijten. The PR is based upon pull request #394, which may be merged into master first and adds patch energy functionality.

ChangeLog

  • New command hpmc.update.clusters() supports geometric cluster moves with anisotropic particles and/or depletants and/or patch potentials. Supported move types: pivot and line reflection (geometric), and AB type swap

  • Faster reinitialization from snapshots when done frequently

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