Skip to content

Issues: psi4/psi4numpy

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

10 Open 20 Closed
10 Open 20 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Issues list

Broken example: Fitting Lennard-Jones Parameters from Potential Energy Scan
#139 opened Jan 29, 2024 by KonstantinUshenin
1
ordering of angular moment-indexed basis functions in psi4
#134 opened Mar 6, 2023 by linminhtoo
2
Tutorial 4a_Grids for different molecular symmetries
#130 opened Oct 13, 2022 by samusake
reference of code block in psi4numpy/coupled_cluster/RHF/helper_cceom
#129 opened Sep 29, 2022 by DavidGoing
5
Numpy implementation of b3lyp
#127 opened Aug 31, 2022 by alexm-gc
2
Question in code performance
#124 opened May 23, 2022 by Kee-Wang
2
obtaining
#80 opened Jun 1, 2019 by loriab
Why no more updates?
#75 opened Apr 1, 2019 by rtransformation
3
spin-orbital MO antisymmetrized integrals ordering
#64 opened Aug 17, 2018 by tylertak
1
SCF Gradients for DF JK types
#61 opened Jun 14, 2018 by dgasmith
ProTip! Type g i on any issue or pull request to go back to the issue listing page.