sf.apps.qchem

This module contains functionality for quantum chemistry calculations.

The following submodules are available:

dynamics	Functions used for simulating vibrational quantum dynamics of molecules.
vibronic	Functions used for computing molecular vibronic spectra with GBS.

Additional utility functions are also available:

duschinsky(Li, Lf, ri, rf, wf, m)	Generate the Duschinsky rotation matrix \(U\) and displacement vector \(\delta\).
read_gamess(file[, scale_factor])	Reads molecular data from the output file generated by the GAMESS quantum chemistry package [12].

code/api/strawberryfields.apps.qchem

 

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