PLUMED-NEST

Project ID: plumID:23.002
Name: Critical comparison of general-purpose collective variables for crystal nucleation
Archive: https://github.com/julienlamcnrs/2023_PhysRevE_PIVvsS/archive/refs/heads/main.zip
Category: methods
Keywords: metadynamics, umbrella sampling, commitor, entropy, PIV
PLUMED version: 2.5.1
Contributor: Julien Lam
Submitted on: 20 Jan 2023
Publication: J. Lam, F. Pietrucci, Critical comparison of general-purpose collective variables for crystal nucleation. Physical Review E. 107 (2023)

PLUMED input files

File	Compatible with
1_Metadynamics/1_PIV/plumed.dat
1_Metadynamics/2_Entropy/plumed.dat
1_Metadynamics/3_BAD_PIV/plumed.dat
1_Metadynamics/4_Q6/plumed.dat
2_Commitor/plumed.dat
3_UmbrellaSampling/1_PIV/zSrc/plumed.dat
3_UmbrellaSampling/2_Entropy/zSrc/plumed.dat

Last tested: 22 Apr 2024, 20:44:49

Project description and instructions
The GitHub repository includes 3 folders that stand for each type of simulations, Metadynamics, Commitor UmbrellaSampling. Except for Commitor that does not require biasing, the other are split in 3 folders depending on which CV is employed for biasing.

Submission history
[v1] 20 Jan 2023: original submission

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