It includes a README that describes its dependencies and how to run the example (since it is not a self-contained notebook like several other examples).
To-do:
[ ] Should I commit output files? e.g. signac.rc, workspace/*, output plots.
[ ] Perhaps add TIP3P "force balance" model as a third state point?
bdice
commented
1 year ago
This pull request adapts the
water-modelsworkflow (#18) for use with the signac data management framework.It includes a README that describes its dependencies and how to run the example (since it is not a self-contained notebook like several other examples).
To-do:
signac.rc,workspace/*, output plots.