Mpi for HESS/NAC - Githubissues

Open-Quantum-Platform / openqp

The main repository of Open Quantum Platform (OpenQP)

https://www.openqp.org

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Closed karmachoi closed 1 month ago

karmachoi commented 2 months ago

Jingbai added MPI options for Hessian and NAC calculations.

Both Hessian and NAC (Nonadiabatic Coupling) utilizes MPI for optimal parallel efficiency.

karmachoi commented 1 month ago

All test files are passed without any errors.