aimmd.distributed.pathmovers

This file is part of AIMMD.

AIMMD is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.

AIMMD is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.

You should have received a copy of the GNU General Public License along with AIMMD. If not, see <https://www.gnu.org/licenses/>.

Classes

FixedLengthTwoWayShootingPathMover(n_steps, ...)	Produce new trials by propagating two trajectories from the selected shooting point, one forward and one backward in time, for a fixed number of frames in total.
FixedLengthTwoWayShootingPathMoverSansModel(...)	FixedLengthTwoWayShootingPathMover
MCstep(mover, stepnum, directory[, ...])
ModelDependentPathMover([modelstore, ...])	This Pathmover uses a SPselector with a model to bias the selection.
PathMover()	Abstract base class defining the API for all PathMovers.
PathMoverSansModel([sampler_idx])	This Pathmover does not use a SPselector with a model.
TwoWayShootingPathMover(states, engine_cls, ...)	Produce new trials by propagating two trajectories from the selected shooting point, one forward and one backward in time, until the given states have been reached.
TwoWayShootingPathMoverSansModel(states, ...)	TwoWayShootingPathMover