yaff 1.6.0-iomkl-2019b-Python-3.7.4

Yaff stands for 'Yet another force field'. It is a pythonic force-field code.

Accessing yaff 1.6.0-iomkl-2019b-Python-3.7.4

To load the module for yaff 1.6.0-iomkl-2019b-Python-3.7.4 please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):

📋 module load yaff/1.6.0-iomkl-2019b-Python-3.7.4

BEAR Apps Version

2019b

Architectures

EL8-cascadelakeEL8-icelakeEL8-sapphirerapids

The listed architectures consist of two part: OS-CPU. The OS used is represented by EL and there are several different processor (CPU) types available on BlueBEAR. More information about the processor types on BlueBEAR is available on the BlueBEAR Job Submission page.

More Information

For more information visit the yaff website.

Dependencies

This version of yaff has a direct dependency on: h5py/2.10.0-iomkl-2019b-Python-3.7.4 iomkl/2019b molmod/1.4.5-iomkl-2019b-Python-3.7.4 Python/3.7.4-GCCcore-8.3.0

Required By

This version of yaff is a direct dependent of: LAMMPS/3Mar2020-iomkl-2019b-Python-3.7.4-kokkos

Other Versions

These versions of yaff are available on the BEAR systems (BlueBEAR and BEAR Cloud VMs). These will be retained in accordance with our Applications Support and Retention Policy.

Last modified on 20th May 2021