mirror of
https://github.com/QuantumPackage/qp2.git
synced 2025-04-28 19:25:02 +02:00
============== on_top_density ============== This plugin proposes different routines/providers to compute the on-top pair density of a CAS-based wave function. This means that all determinants in psi_det must belong to an active-space. As usual, see the file "example.irp.f" to get introduced to the main providers/routines.