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Using PSi4-ForteCubeView

Binder (notebook)

Binder (lab)

If you use environment.yml, then Binder will use a Miniconda distribution to install your packages. However, you may still want to use pip. In this case, you should not use a requirements.txt file, but instead use a - pip section in environment.yml. This repository is an example of how to construct your environment.yml file to accomplish this.

Psi4 Extension References:

  1. for TDDFT https://github.com/robertodr/tddft_psicon2020

  2. for Tutorials and PCMSOLVER https://education.molssi.org/qm-tools/

  3. for xDH https://psi4-xdh.readthedocs.io/zh_CN/latest/motive.html

  4. for OpenFermion https://quantumai.google/openfermion/install

  5. for Quantum Computing https://iwatobipen.wordpress.com/2019/06/30/quantum-computing-for-chemistry-rdkit-psi4-qiskit/

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