mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-08 07:03:52 +01:00
20 lines
536 B
Fortran
20 lines
536 B
Fortran
program cas_based_on_top_density
|
|
implicit none
|
|
BEGIN_DOC
|
|
! TODO : Small example to use the different quantities in this plugin
|
|
END_DOC
|
|
|
|
!! You force QP2 to read the wave function in the EZFIO folder
|
|
!! It is assumed that all Slater determinants in the wave function
|
|
!! belongs to an active space defined by core, inactive and active list of orbitals
|
|
read_wf = .True.
|
|
touch read_wf
|
|
! call routine_test_cas_based_on_top_density
|
|
call routine
|
|
end
|
|
|
|
subroutine routine
|
|
implicit none
|
|
provide total_cas_on_top_density
|
|
end
|