conical-intersection

Here are 2 public repositories matching this topic...

Open-Quantum-Platform / openqp

The main repository of Open Quantum Platform (OpenQP) maintained by Choi Group at KNU.

dft chemistry quantum molecular-dynamics tddft molecular-modeling abinitio mrsf-tddft strong-correlation pyoqp mixed-reference dynamic-nondynamic-correlation conical-intersection diradical

Updated Aug 29, 2025
Fortran

Kalpa08 / ConeZen

Star

A Python toolkit for computational chemists to analyze and visualize conical intersection topology. It transforms raw quantum chemistry output into intuitive 3D potential energy surfaces to help predict the outcomes of photochemical reactions. Licensed under GPL-3.0.

visualization python3 computational-chemistry data-analysis research-tool automated nonadiabaticdynamics non-adiabatic-molecular-dynamics nonadiabatic-dynamics conical-intersection openmolcas sharc-molcas nonadiabatic-coupling

Updated Aug 3, 2025
Python

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