Project ID: plumID:21.047
Name: Enhancing Entropy and Enthalpy Fluctuations to Drive Crystallization in Atomistic Simulations
Keywords: pair entropy, metadynamics, ves, solids, crystallization
PLUMED version: 2.8
Contributor: Pablo Piaggi
Submitted on: 29 Nov 2021
Publication: P. M. Piaggi, O. Valsson, M. Parrinello, Erratum: Enhancing Entropy and Enthalpy Fluctuations to Drive Crystallization in Atomistic Simulations [Phys. Rev. Lett. 119 , 015701 (2017)]. Physical Review Letters. 125 (2020)
PLUMED input files
Last tested: 28 Mar 2023, 07:12:23
Project description and instructions
The input files can be used with LAMMPS and PLUMED. I tested the files with the following versions. LAMMPS (15 Apr 2020), PLUMED version 2.8.0-dev (git 2998c35), the PAIRENTROPY CV is used with the LOAD keyword.
[v1] 29 Nov 2021: original submission
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