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[REQUEST]Split New feature or request
from_iodata
and from_pyscf
wrappers into two independent modules
enhancement
#198
opened Aug 2, 2024 by
leila-pujal
[REQUEST] Allow Gbasis to use normalized primitive contraction coefficients
enhancement
New feature or request
#197
opened Aug 2, 2024 by
leila-pujal
[REQUEST] Get pre-commit.ci up and running (without errors)
enhancement
New feature or request
#192
opened Jul 5, 2024 by
tovrstra
[REQUEST] Arbitary-order Overlap Integrals (and evaluations enabled thereby)
enhancement
New feature or request
#183
opened May 17, 2024 by
PaulWAyers
[REQUEST] Direct Evaluation of Slater Potential/Force/Hessian and Ehrenfest Force/Hessian
enhancement
New feature or request
#173
opened Apr 17, 2024 by
PaulWAyers
GSoC 2024: Improve Performance Using Screening
enhancement
New feature or request
gsoc
Possible Google Summer of Code Project
#167
opened Feb 6, 2024 by
PaulWAyers
[REQUEST] Be Very Clear about Units
enhancement
New feature or request
#162
opened Jan 19, 2024 by
PaulWAyers
Evauation of angular momentum in GBasis vs. Libcint bindings
enhancement
New feature or request
low priority
Low priority issue
#149
opened Jan 10, 2024 by
msricher
Automatic differentiation to calculate derivatives
enhancement
New feature or request
#134
opened Oct 24, 2023 by
leila-pujal
Support for effective core potentials (ECPs)
enhancement
New feature or request
future feature
New feature that is coming soon
#127
opened Feb 1, 2022 by
PaulWAyers
[BUG] Big memory usage for density evaluation
bug
Something isn't working
enhancement
New feature or request
#121
opened Jul 9, 2021 by
leila-pujal
[REQUEST] Utility for computing AO <-> MO transformation matrices
enhancement
New feature or request
#115
opened Aug 28, 2020 by
wilhadams
[REQUEST] Calculation of density matrices, and spin density matrices
enhancement
New feature or request
#101
opened Jul 11, 2019 by
thomaspigeon
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