Write abstract

[fjclark]

Proposed Change

Write/ update the abstract from the first version to reflect focus on multiple calculations and alert readers to the existence of the "single calculations" best practices.

The original best practices guide will be split into two documents: the first will gives best practices for running a single calculation (and cover theory in more depth/ detail system-specific setup etc.), while the second will give best practices for running multiple calculations (with a focus on automation). The first will become version 2.0 of the current guide, while the second (this manuscript) will be submitted as a new manuscript (https://github.com/alchemistry/largescale-alchemy-best-practices).

Obviously, this is likely best left until other the rest of the document is finalised.

Proposed Authors and Reviewers

Please volunteer (before the end of January) to author/ review and state when you're available. Authors, please say roughly when you plan to contribute the changes (no later than the end of May).

Proposed author: Volunteer wanted
Proposed reviewer: Volunteer wanted