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obackhouse/pyscf2vmd

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1
Language
Python
Created over 1 year ago
Updated 10 months ago

obackhouse/pyscf2vmd

obackhouse

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Interface PySCF with VMD for visualising molecules and orbitals

gmtkn

GMTKN test sets in python

auxgf

Green's function methods using auxiliary space

dyson-compression

pyscf-cache

qwick

julia-ints

Molecular integrals in Julia

adc-scripts

agf2-ext

Extensions to the PySCF AGF2 module