yaff 1.6.0-fosscuda-2020a-Python-3.8.2

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-fosscuda-2020a-Python-3.8.2

To load the module for yaff 1.6.0-fosscuda-2020a-Python-3.8.2 please use this command on the BEAR systems (BlueBEAR, BEARCloud VMs, and CaStLeS VMs):

module load yaff/1.6.0-fosscuda-2020a-Python-3.8.2

There is a CPU version of this module: yaff 1.6.0-foss-2020a-Python-3.8.2

BEAR Apps Version

2020b

More Information

For more information visit the yaff website.

Dependencies

This version of yaff has a direct dependency on: fosscuda/2020a h5py/2.10.0-fosscuda-2020a-Python-3.8.2 molmod/1.4.5-fosscuda-2020a-Python-3.8.2 Python/3.8.2-GCCcore-9.3.0

Other Versions

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

Last modified on 30th November 2020