Ecosyste.ms: Issues

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GitHub / ajz34/Py_xDH issues and pull requests

#8 - build(deps): bump numpy from 1.18 to 1.22.0

Pull Request - State: open - Opened by dependabot[bot] 9 months ago
Labels: dependencies

#7 - build(deps): bump scipy from 1.4.1 to 1.11.1

Pull Request - State: open - Opened by dependabot[bot] 9 months ago
Labels: dependencies

#6 - Legacy pyxdh update

Pull Request - State: closed - Opened by ajz34 9 months ago

#5 - Minor bug fix with `basic_gga.ipynb`

Pull Request - State: closed - Opened by atxy-blip over 1 year ago - 1 comment

#4 - update note for anaconda mirror, etc

Pull Request - State: closed - Opened by hebrewsnabla almost 2 years ago

#3 - Analytical gradient for non self-consistent meta-GGA

Issue - State: open - Opened by yskim123 about 2 years ago

#2 - Too expensive computational cost for the large basis set

Issue - State: open - Opened by nesquik91 over 4 years ago - 2 comments

#1 - How to optimize the structure with XYG3 functional?

Issue - State: open - Opened by nesquik91 over 4 years ago - 7 comments