Ecosyste.ms: Issues

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GitHub / pyscf/properties issues and pull requests

#7 - fix nmr

Pull Request - State: closed - Opened by fishjojo 20 days ago

#6 - Overlap matrix S(B) of perturbation-dependent atomic orbitals

Issue - State: open - Opened by cyberturist 4 months ago - 1 comment

#5 - Allow input density matrix to EFG kernel

Pull Request - State: closed - Opened by fishjojo 10 months ago

#4 - NMR does not run

Issue - State: closed - Opened by ycarissan over 1 year ago - 5 comments
Labels: bug

#3 - NMR example does not run

Issue - State: closed - Opened by ycarissan over 1 year ago - 2 comments

#2 - About the implementation of SSC

Issue - State: open - Opened by DanielBajac over 2 years ago

#1 - Adding infrared spectra intensity

Pull Request - State: closed - Opened by ajz34 almost 3 years ago - 7 comments