JFurness1/AtomicOrbitals - GitHub Explorer | GitHub Explorer | Trending

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23

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9

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23

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0

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Inactive - no updates in 3+ months

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Recent Commits

Fix syntax warnings

Susi Lehtola•7 months ago

b22d016View on GitHub

Run checks in both restricted and unrestricted mode

Susi Lehtola•7 months ago

98d7e5bView on GitHub

Add driver script for libxc evaluation

Susi Lehtola•7 months ago

ddf4225View on GitHub

Math notation

Susi Lehtola•7 months ago

1fe23c8View on GitHub

Add script to dump out data in ASCII format

Susi Lehtola•1 year ago

5d0b42bView on GitHub

Add original Becke radial quadrature rule

Susi Lehtola•2 years ago

889e7d5View on GitHub

Legendre quadrature from SciPy

Susi Lehtola•2 years ago

22b1d93View on GitHub

Add more Chebyshev rules

Susi Lehtola•2 years ago

6c340f5View on GitHub

cleaned up old grid generation code

jfurness•3 years ago

aa68582View on GitHub

fixed scalar input to get_densities

jfurness•3 years ago

02f9fddView on GitHub

fixed import names in README

jfurness•3 years ago

05da37aView on GitHub

Merge pull request #10 from JFurness1/quadtype

Susi Lehtola•3 years ago

8112cdaView on GitHub

Implement trapezoidal quadrature rule as well

Susi Lehtola•3 years ago

056c2e6View on GitHub

Merge pull request #9 from JFurness1/ahlrichs_m4

Susi Lehtola•3 years ago

0f04106View on GitHub

Implement Ahlrichs' M4 grid

Susi Lehtola•3 years ago

8c56c21View on GitHub

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AtomicOrbitals

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