Skip to content

Issues: theochem/AtomDB

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

14 Open 34 Closed
14 Open 34 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

Zero-electron systems
#136 opened Dec 10, 2024 by PaulWAyers
1
Document species covered by each dataset documentation Improvements or additions to documentation enhancement New feature or request help wanted Extra attention is needed
#132 opened Dec 6, 2024 by gabrielasd
1
Incorrect positive definite kinetic energy density values from Slater dataset bug Something isn't working
#128 opened Nov 6, 2024 by gabrielasd
@gabrielasd @marco-2023
1
New (Local) Atom Properties: Electrostatic Potential, Gaussian Basis Set Expansion
#127 opened Nov 2, 2024 by PaulWAyers
NIST dataset
#100 opened Aug 7, 2024 by RichRick1
1
Atomic Static Dipole Polarizabilities
#98 opened Jul 4, 2024 by PaulWAyers
3
Compilation Gaussian excited state cases enhancement New feature or request help wanted Extra attention is needed
#88 opened May 9, 2024 by gabrielasd
3
Compilation NIST failed cases bug Something isn't working enhancement New feature or request help wanted Extra attention is needed
#75 opened Apr 25, 2024 by gabrielasd
3
Compilation Slater DB failed cases bug Something isn't working enhancement New feature or request help wanted Extra attention is needed
#74 opened Apr 25, 2024 by gabrielasd
3 tasks
4
GSoC 2024: Refactor database structure enhancement New feature or request gsoc Google Summer of Code project
#21 opened Feb 2, 2024 by msricher Refactor database structure with ZODB
@FarnazH @msricher @gabrielasd
22
[Release] Update RUN/COMPILE functions for the datasets enhancement New feature or request help wanted Extra attention is needed
#18 opened Feb 2, 2024 by gabrielasd
1
[Doc] Species doc attribute enhancement New feature or request
#16 opened Feb 2, 2024 by gabrielasd
@marco-2023
[Doc] Discoverability of datasets' properties enhancement New feature or request
#15 opened Feb 2, 2024 by gabrielasd
8
Parameters for Separated-Atom and United-Atom Limits
#6 opened Aug 2, 2023 by PaulWAyers
@gabrielasd
9
ProTip! Updated in the last three days: updated:>2024-12-22.