Docker container for nwchem.

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Gets Around

12:41:15 AM PDT - Fri, Oct 28th 2016
Hi Edo. I plan to test this container on https://www.digitalocean.com/ After that, starting two or more containers in parallelsw with Docker Compose https://docs.docker.com/compose/ I do not fully understand how to write a docker-compose.yml for this. https://docs.docker.com/compose/compose-file/#/network-configuration-reference I do not understand how containers should be linked.