GCA¶
- class hoomd.hpmc.update.GCA(pivot_move_probability=0.5, flip_probability=0.5, trigger=1)¶
Bases:
UpdaterApply geometric cluster algorithm (GCA) moves.
- Parameters:
pivot_move_probability (float) – Set the probability for attempting a pivot move.
flip_probability (float) – Set the probability for transforming an individual cluster.
trigger (hoomd.trigger.trigger_like) – Select the timesteps on which to perform cluster moves.
The GCA as described in Liu and Lujten (2004), https://doi.org/10.1103/PhysRevLett.92.035504 is used for hard shape and patch interactions.
Supported moves include pivot moves (point reflection) and line reflections (pi rotation around an axis). With anisotropic particles, the pivot move cannot be used because it would create a chiral mirror image of the particle, and only line reflections are employed. In general, line reflections are not rejection free because of periodic boundary conditions, as discussed in Sinkovits et al. (2012), https://doi.org/10.1063/1.3694271 . However, we restrict the line reflections to axes parallel to the box axis, which makes those moves rejection-free for anisotropic particles, but the algorithm is then no longer ergodic for those and needs to be combined with local moves.
Mixed precision
GCAuses reduced precision floating point arithmetic when checking for particle overlaps in the local particle reference frame.
Members inherited from
AutotunedObject:- property kernel_parameters¶
Kernel parameters.
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- property is_tuning_complete¶
Check if kernel parameter tuning is complete.
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- tune_kernel_parameters()¶
Start tuning kernel parameters.
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Members inherited from
Integrator:- trigger¶
The trigger to activate this operation.
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Members defined in
GCA: