Getting Started

This part of the documentation focusses on getting you up and running quickly. The first section is a quickstart to installing SEAMM, followed by tutorials that show you how to do straightforward tasks in SEAMM. These focus on the mechanics of working with SEAMM so use relatively simple problems. For more serious tasks look to the How-Tos

Attention

Currently, SEAMM is in the early stages of its deployment and beta testing by the members of the computational molecular sciences community. Although we have made every efforts to minimize errors and glitches in the SEAMM software infrastructure, similar to any open-source software project it its early days, there may be bugs and issues we haven’t seen. If you find something or have a suggestion, please let us know!

There is a forum for reporting problems and sharing ideas and experiences. Thanks to the wonderful people at matsci.org for providing the infrastructure and management for so many useful forums! You can also email us at seamm@molssi.org or join the Slack channel.

SEAMM is fully open-source allowing anyone to contribute to its growth by opening issues, forking the repository and submitting pull requests in order to make changes in the code or documentation. SEAMM is also a large-scale and ambitious project with many moving parts. Thus, it will take some time to become truly stable! We appreciate your patience and assistance throughout the development process!

The following sections – which are also in the menu to the left – will get you started:

• Installing SEAMM
• Tutorials
  • 1: A First Calculation
  • 2: Looking at the Results
  • 3: Variables in Flowcharts
  • 4: Resubmitting a Job
  • 5: Looping Over Structures
  • 6: Running from the Command-Line