Project ID: plumID:20.019
Name: Systematic finite-temperature reduction of crystal energy landscapes
Archive: https://github.com/mme-ucl/plumed-nest-data/raw/master/Crystal-Energy-Landscapes.zip
Category: materials
Keywords: crystals, organics, structure prediction
PLUMED version: 2.3-mod
Contributor: Matteo Salvalaglio
Submitted on: 02 Jul 2020
Publication: unpublished

PLUMED input files

File Compatible with
Crystal-Energy-Landscapes/plumed.dat tested on v2.6 tested on master with custom code

Last tested: 14 Jul 2020, 09:13:35

Project description and instructions
PLUMED files used to generate distributions and to perform metadynamics simulations in the context of the workflow discussed in the paper Systematic finite-temperature reduction of crystal energy landscapes by N. Francia et al.

Submission history
[v1] 02 Jul 2020: original submission

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plumeDnest:20.019