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psi4

Here are 3 public repositories matching this topic...

AlexB67 / QMolview

An application for viewing normal modes, xyz and cml files. PSI4 and hfscf compatible.

qt chemistry physics molecule qt3d modes spectroscopy normal psi4 vibrational-analysis hfscf

Updated Mar 11, 2022
C++

berquist / libresponse_psi4

A Psi4 plugin for https://github.com/berquist/libresponse

python cpp quantum-chemistry electronic-structure psi4 molecular-properties

Updated May 18, 2020
C++

steinraf / MDAtom

cpp molecular-dynamics computational-chemistry ab-initio psi4

Updated Jun 14, 2021
C++

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