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psi4-EDFT

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EDFT libraries and code using psi4/numpy

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Name		Name	Last commit message	Last commit date
psi4EDFT		psi4EDFT
.gitattributes		.gitattributes
CNm.mol		CNm.mol
DoubleEx.py		DoubleEx.py
Examples.txt		Examples.txt
KnownIssues.txt		KnownIssues.txt
MoleculeDefs.py		MoleculeDefs.py
README.md		README.md
ethylene.xyz		ethylene.xyz

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psi4-EDFT

EDFT libraries and code using psi4/numpy

Requires a recent version of psi4 (developed using 1.3.2)

See Examples.txt for usage examples and KnownIssues.txt for issues.

Code seems to work most of the time but may have issues. There are many undocumented options too.

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EDFT libraries and code using psi4/numpy

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