3 projects
sportran
Cepstral Data Analysis of current time series for Green-Kubo transport coefficients
aiida-QECpWorkChain
Car-Parrinello Work Chain with Quantum Espresso. This workchain does a full CP simulation, from the choice of the electronic mass and the timestep, to the choice of the best parallelization options, and then it does the NPT equilibration and a final NVE simulation at the prescribed P and T. Automates as much as possible.
rabbitmqadmin-client
A simple wrapper around rabbitmq's rabbitmqadmin CLI, and the CLI itself
