Singularity/Apptainer recipes for NWChem
See https://github.com/edoapra/nwchem-singularity/tree/master/nwchem-dev.ompi41x
and
https://nwchemgit.github.io/Containers.html#instruction-for-running-on-emsl-tahoma
edoapra/nwchem-singularity
Folders and files
| Name | Name | Last commit date | ||
|---|---|---|---|---|