mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-11 16:03:38 +01:00
10 lines
330 B
ReStructuredText
10 lines
330 B
ReStructuredText
==============
|
|
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.
|