Detailed documentation can be found at https://ifilot.github.io/ppmil/.

Evaluate molecular integrals purely in Python, without the need of any compiled libraries.

Note that this project is still under development. Currently, the following molecular integrals are implemented:

• Overlap integrals
• Kinetic integrals
• Nuclear integrals
• Dipole integrals
• Two-electron integrals

And also the following geometric derivatives:

• Overlap derivatives
• Kinetic derivatives
• Nuclear derivatives
• Two-electron integrals

Detailed documentation can be found at https://ppmil.imc-tue.nl.