seamm-dashboard-client 2023.10.24

A Python client for the SEAMM Dashboard RESTful API.

CMS Plots

Description

Utilities for creating plots for computational materials/molecular science (CMS)

This package provides tools for creating plotly graphs for e.g. band structure, DOS, and other specialized plots for CMS applications.

• Free software: LGPL.v3 or later

• Documentation: https://molssi-seamm.github.io/seamm_dashboard_client/index.html

Features

• Density of states (DOS) plots

• Band structure plots

• Combined band structure & DOS plots

Credits

This package was created with Cookiecutter and the molssi-seamm/cookiecutter-seamm-plugin project template.

Developed by the Molecular Sciences Software Institute (MolSSI), which receives funding from the National Science Foundation under award ACI-1547580

History

2023.10.24 – Improvement for job handling.

• Added control parameters to the data stored for the job, to support filling out menus identical to how the job was submitted.

2023.7.29 – Bugfix: error if no required parameters

• Apparently can’t use ‘–’ without subsequent parameters.

2023.7.10 – Corrected handling of control parameters

• Now handle control parameters with multiple values.

• Separate the options from required parameters with ‘–’ as required.

2023.6.28 – Improved error messages for login failures.

2022.8.13 (13 August 2022)

• First release of a working version on PyPI.