Just came across the wavepacket python package that probably overlaps with functionality of qdyn.
Might be useful to have in mind for future developments (perhaps as a reference implementation)
https://github.com/ulflor/wavepacket
From the README:
Wavepacket focuses on a particular niche:
Direct solution of Schrödinger / Liouville von Neumann equations. No electronic structure, no MCTDH, no semiclassics, at least for now.
Grid-based representation of operators (DVR approximation).
Accessibility is an overriding goal. Wavepacket should be directly usable in teaching. We try to provide good tutorials / docs, but also goodies like simple plotting.
Performance is a subordinate goal. For specific systems, you can easily improve the performance by integer factors.
Just came across the
wavepacketpython package that probably overlaps with functionality of qdyn.Might be useful to have in mind for future developments (perhaps as a reference implementation)
https://github.com/ulflor/wavepacket
From the README: