yaff 1.6.0-foss-2020a-Python-3.8.2
There is a newer install of yaff
Yaff stands for 'Yet another force field'. It is a pythonic force-field code.Accessing yaff 1.6.0-foss-2020a-Python-3.8.2
To load the module for yaff 1.6.0-foss-2020a-Python-3.8.2 please use this command on the BEAR systems (BlueBEAR and BEAR Cloud VMs):
📋
module load yaff/1.6.0-foss-2020a-Python-3.8.2
BEAR Apps Version
Architectures
EL8-icelake — EL8-sapphirerapids
The listed architectures consist of two parts: 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: foss/2020a h5py/2.10.0-foss-2020a-Python-3.8.2 molmod/1.4.5-foss-2020a-Python-3.8.2 Python/3.8.2-GCCcore-9.3.0
Required By
This version of yaff is a direct dependent of: LAMMPS/3Mar2020-foss-2020a-Python-3.8.2-kokkos LAMMPS/29Oct2020-foss-2020a-Python-3.8.2-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.
| Version | BEAR Apps Version |
|---|---|
| 1.6.0-iomkl-2019b-Python-3.7.4 | 2019b |
| 1.6.0-foss-2020b | 2020b |
| 1.6.0-foss-2019b-Python-3.7.4 | 2019b |
Last modified on 30th November 2020