Improved handling of structures.

• Improved handling of structures
• Added ability to run simulations engine in a given directory, typically the step directory. This allows users to see the outputs during the simulation rather than having to wait until the end.
• Added support allowing a flowchart to be run as a sub-flowchart.

Simplified plug-ins

Better support for plug-ins and the SEAMM cookiecutter:

• Automated most handling of results and properties, based on metadata
• Simplified handling of sub-flowcharts.

Added support for properties in the database.

Merge pull request #135 from molssi-seamm/dev

Added support for handling properties the database.

Support for read-structure-step & MOPAC

This release fixes a bug that impacted read-structure-step finding MOPAC to use as a helper when reading .mop files.

Improvements when opening flowcharts

Added memory of where you were last opening flowcharts, and directories that you use, to make it a bit easier.

Support for bandstructure graphs

Merge pull request #132 from molssi-seamm/dev

Adding support for combined bandstructure/DOS graphs.

Added --version option

What's Changed

• Add a --version argument to print version and stop. by @paulsaxe in #130

Also switched to reusable GitHub workflows (internal development improvement).

Full Changelog: 2022.6.7...2022.6.9

Improved printing in case of issues connecting to the dashboard

What's Changed

• Improving the error messages when there are problems with the Dashboard. by @paulsaxe in #128
• Improved printing when there are issues connecting to the dashboard by @seamm in #129

Full Changelog: 2022.2.24...2022.6.7

Double-click to open flowcharts

Also fixed a problem recognizing command-line arguments, such as the flowchart to open.

Fixed bug on Linux with ctrl-plus accelerator.

Merge pull request #126 from paulsaxe/main

Fixed bug with ctrl-plus accelerator on Linux