Changelogs » Aiida-cp2k

PyUp Safety actively tracks 267,270 Python packages for vulnerabilities and notifies you when to upgrade.

Aiida-cp2k

1.2.1

This is a bug-fix release that add a workaround for the https://github.com/aiidateam/aiida-core/issues/4454 bug.

1.2.0

- Add (optional) support for the AiiDA Gaussian Datatypes (104, 111).

1.1.1

- Fix docs build (102, 103)
  - Advanced parser: parse electronic energy (108)

1.1.0

* Drop Python2 support. (95)
  * Change docker base image to aiida-core. (96)
  * Use BaseRestartWorkChain from aiida-core. (97)
  * Enable dynamic outputs. (99)

1.0.0

Stable aiida-1.0 compatible relelase.

1.0.0b4

* Fix an issue with writing coordinates (52)

1.0.0b2

aiida-v1.0.0b4 compatible

1.0.0b1

aiida-v1.0.0b1 compatible

0.10

Release notes:
  
  1. Add bands parser
  1. Create basic infrastructure for the workflows

0.9

Improve parsing of output structure

0.8.1


        

0.8


        

0.7


        

0.6


        

0.5


        

0.4


        

0.3


        

0.2.2