Please note that all scripts are fully protected by copyright law. All scripts are available only for private, personal use and not for any other form of wider distribution. You are not allowed to ...
Gromacs Workflow Tools setup.sh A bash script for simulation setup and scheduling equilibration (4 steps; 1000, 100, 10 and 1 kj E tolerence), NVE equilibration, NVT equilibration, (optional) electric ...
This repository contains the scripts, data, results, and plots used to reproduce the findings of the paper "Uncertainty Quantification for Reduced-Order Surrogate Models Applied to Cloud Microphysics, ...
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