mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-06 22:23:55 +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
|