Qmflows

Latest version: v0.13.0

Safety actively analyzes 683530 Python packages for vulnerabilities to keep your Python projects secure.

Scan your dependencies

Page 3 of 3

0.8.0

Changed

* Used [pyyaml](https://pyyaml.org/wiki/PyYAMLDocumentation) for the [templates](https://github.com/SCM-NV/qmflows/blob/master/src/qmflows/templates/_templates.py) instead of *JSON*
* Updated documentation
* Test wiht python 3.7

0.4.0

Changed

* Moved all the functionality to build and analysis quantum dot structures to [their own repo](https://github.com/BvB93/CAT)
* Moved `molkit` functionality to [PLAMS](https://github.com/SCM-NV/PLAMS)

08/01/2019

Removed
* Quantum Dots builder functionality moved to [CAT](https://github.com/BvB93/CAT)



19/10/2018

Added
* Quantum Dots builder functionality

Changed

* Use [noodles==0.3.0](https://github.com/NLeSC/noodles/releases)
* Replace [nose](https://nose.readthedocs.io/en/latest/) with [pytest](https://docs.pytest.org/en/latest/)
* Imported only the core functionality of the library
* Used [intra-package-references](https://docs.python.org/3/tutorial/modules.html#intra-package-references)
* Used `__all__` to limit exposed fuctionality

Removed

* Dead code related to all noodles API
* All the `import *`
* Dead code from components including PES

Fixed

* Job manager issue when removing a SCM job



02/12/2018

Added
* Ligand MOPAC+COSMO-RS property calculation
* Inter-ligand activation strain analysis have been (UFF)

Changed

* Ligand optimization has been overhauled

Page 3 of 3

© 2024 Safety CLI Cybersecurity Inc. All Rights Reserved.