Project ID: plumID:19.081
Name: Calculation of phase diagrams in the multithermal-multibaric ensemble
Archive: https://github.com/PabloPiaggi/JCP-2019/archive/light.zip (browse)
Keywords: VES, variationally enhanced sampling, multithermal-multibaric, energy, Wang Landau, RefCV, kernel, bcc, fcc, sodium, aluminum
PLUMED version: 2.6-dev
Contributor: Pablo Piaggi
Submitted on: 11 Dec 2019
Publication: P. M. Piaggi, M. Parrinello, Calculation of phase diagrams in the multithermal-multibaric ensemble. The Journal of Chemical Physics. 150, 244119 (2019)
PLUMED input files
Last tested: 24 Mar 2023, 17:33:30
Project description and instructions
The input files were used with the master branch of Lammps (cloned on Jan 2019). The master branch of Plumed was used but an additional source file is required. This file is provided and loaded with the LOAD command.
[v1] 11 Dec 2019: original submission
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