A Python client for the SEAMM Dashboard RESTful API.
Project description
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
2024.6.27 – Added support for using local files in Jobs
- 2024.5.23 – Bugfix: crash opening a flowchart from a Dashboard
SEAMM could crash when asking the Flowchart Open dialog to get the flowchart from a previous job. This only happened if the Dashboard was known but the stored password was wrong.
- 2024.4.22 – Moving user preferences to ~/.seamm.d
Added better output when there are failures in the Dashboard.
To better support Docker, moving ~/.seammrc to ~/.seamm.d/seamrc
- 2023.11.15 – Bugfix: boolean options now work
Boolean options were not handled correctly when submitting jobs.
- 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.
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