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conda-forge / packages / parsplice 1.1.2.dev0

Parallel Trajectory Splicing AMD Code

Installers

Info: This package contains files in non-standard labels.
  • linux-64 v1.1.2.dev0

conda install

To install this package run one of the following:
conda install conda-forge::parsplice
conda install conda-forge/label/cf202003::parsplice

Description

The ParSplice code implements the Parallel Trajectory Splicing algorithm described in [1]. This method is part of the Accelerated Molecular Dynamics family of techniques developed in Los Alamos National Laboratory over the last 16 years. These methods aim at generating high-quality trajectories of ensembles of atoms in materials.


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