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qp2/src/cas_based_on_top/cas_based_on_top.irp.f

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2020-04-07 11:42:29 +02:00
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