Hands-on, runnable tutorials for OpenQP (Open Quantum Platform). Every tutorial shows the calculation in both the classic input-file style and the compact Python API.
📖 Read the tutorials book: https://open-quantum-platform.github.io/openqp-tutorials/
This repository is a MkDocs site (same look and feel as
the OpenQP manual). Each
tutorial lives in docs/<topic>/ with an index.md walkthrough and an inputs/
folder of ready-to-run decks.
pip install openqp # the QM engine + `openqp` CLI
pip install openmm # optional MM backend (needed for the QM/MM tutorials)openqp docs/mrsf-tddft/inputs/h2o_mrsf.inp # input-file style
python docs/mrsf-tddft/inputs/h2o_mrsf.py # Python-API styleElectronic structure — Hartree-Fock & DFT · MP2 · TDDFT/TDHF · Spin-flip TDDFT · MRSF-TDDFT · UMRSF-TDDFT Excited states & dynamics — Spin-orbit coupling · Conical intersections · SOC-NAMD-QMMM Geometry & properties — Optimization & TS · Hessians/frequencies/IR/Raman · NMR shielding · Population, moments & MRSF analysis Environment — PCM/ddX solvation · ESPF QM/MM embedding SCF & basis — SCF convergence & guesses · Effective core potentials
pip install -r docs/requirements.txt
mkdocs serve # live preview at http://127.0.0.1:8000A tutorial is docs/<topic>/index.md (motivation → theory → annotated input →
Python → run → interpret) plus an inputs/ folder of small, fast decks. Add it to
the nav in mkdocs.yml. Link to the
manual for reference depth
rather than duplicating it.
Released under the same license as OpenQP (GPLv3).