aimmd.distributed#

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/>.

Modules

`committors`	This file contains the implementation of the `CommittorSimulation`.
`config`	This file is part of AIMMD.
`dataclasses`	This file contains various dataclasses used to tie together input arguments commonly used together, such as the MDEngineSpec or the MCstep.
`dataclasses_internal`	This file contains dataclasses used internally in aimmd distributed, e.g. the `PathSamplingSimStateInfo`.
`pathmovers`	This file contains the implementations of various PathMovers.
`pathsampling`	This file contains top-level logic code to steer distributed (T)PS simulations.
`spselectors`	This file contains various shooting point selector classes.
`utils`	This file contains utility functions used at various places in `aimmd.distributed`, but which can also be useful for users, e.g. a method to get all accepted trials from an aimmd.distributed storage.