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13 Open 32 Closed
13 Open 32 Closed
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Issues list

Incorrect positive definite kinetic energy density values from Slater dataset
#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
Update Tables in Documentation
#125 opened Oct 24, 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! no:milestone will show everything without a milestone.