yaff 1.6.0-foss-2020b

There is a newer version of yaff

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

Accessing yaff 1.6.0-foss-2020b

To load the module for yaff 1.6.0-foss-2020b please use this command on the BEAR systems (BlueBEAR, BEAR Cloud VMs, and CaStLeS VMs):

module load yaff/1.6.0-foss-2020b

There is a GPU enabled version of this module: yaff 1.6.0-fosscuda-2020b

BEAR Apps Version

2020h

More Information

For more information visit the yaff website.

Dependencies

This version of yaff has a direct dependency on: foss/2020b h5py/2.10.0-foss-2020b molmod/1.4.5-foss-2020b Python/3.8.6-GCCcore-10.2.0

Required By

This version of yaff is a direct dependent of: LAMMPS/29Oct2020-foss-2020b-kokkos

Other Versions

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

Last modified on 15th June 2021