Add plugings to read the Molecular integrals

plugins/read_integral/NEEDED_CHILDREN_MODULES

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+Integrals_Monoelec Integrals_Bielec

plugins/read_integral/README.rst

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+=============
+read_integral
+=============
+
+Warning: CAN NOT CHANGE THE NUMBER OF MO !
+
+Needed Modules
+==============
+.. Do not edit this section It was auto-generated
+.. by the `update_README.py` script.
+
+
+.. image:: tree_dependency.png
+
+* `Integrals_Monoelec <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec>`_
+* `Integrals_Bielec <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Bielec>`_
+
+Documentation
+=============
+.. Do not edit this section It was auto-generated
+.. by the `update_README.py` script.
+
+
+`print_integrals <http://github.com/LCPQ/quantum_package/tree/master/plugins/read_integral/read_integrals_mo.irp.f#L1>`_
+  Undocumented
+
+
+`run <http://github.com/LCPQ/quantum_package/tree/master/plugins/read_integral/read_integrals_mo.irp.f#L8>`_
+  Undocumented
+

plugins/read_integral/print_integrals_mo.irp.f

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+program print_integrals
+  implicit none
+  
+  integer :: iunit
+  integer :: getunitandopen
+
+  integer ::i,j,k,l
+  double precision :: integral
+
+  iunit = getunitandopen('kinetic_mo','w')
+  do i=1,mo_tot_num
+    do j=1,mo_tot_num
+      write(iunit,*) i,j, mo_kinetic_integral(i,j)
+    enddo
+  enddo
+  close(iunit)
+
+  iunit = getunitandopen('overlap_mo','w')
+  do i=1,mo_tot_num
+    do j=1,mo_tot_num
+      write(iunit,*) i,j, mo_overlap(i,j)
+    enddo
+  enddo
+  close(iunit)
+
+  iunit = getunitandopen('nuclear_mo','w')
+  do i=1,mo_tot_num
+    do j=1,mo_tot_num
+      write(iunit,*) i,j, mo_nucl_elec_integral(i,j)
+    enddo
+  enddo
+  close(iunit)
+
+  !iunit = getunitandopen('pseudo_mo','w')
+  !do i=1,mo_tot_num
+  !  do j=1,mo_tot_num
+  !    write(iunit,*) i,j, mo_pseudo_integral(i,j)
+  !  enddo
+  !enddo
+  !close(iunit)
+
+  PROVIDE mo_bielec_integrals_in_map
+  iunit = getunitandopen('bielec_mo','w')
+  do l=1,mo_tot_num
+   do k=1,mo_tot_num
+    do j=l,mo_tot_num
+     do i=k,mo_tot_num
+       !if (i>=j) then
+          double precision :: get_mo_bielec_integral
+          integral = get_mo_bielec_integral(i,j,k,l,mo_integrals_map)
+          if (dabs(integral) > mo_integrals_threshold) then
+            write (iunit,'(4(I5,X),D22.15)') i,j,k,l, integral 
+          endif
+       !end if
+     enddo
+    enddo
+   enddo
+  enddo
+
+  close(iunit)
+end

plugins/read_integral/read_integrals_mo.irp.f

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+program print_integrals
+  call run
+end
+
+subroutine run
+  use map_module
+  implicit none
+  
+  integer :: iunit
+  integer :: getunitandopen
+
+  integer ::i,j,k,l
+  double precision :: integral
+  double precision, allocatable :: A(:,:)
+
+  integer             :: n_integrals 
+  integer(key_kind), allocatable   :: buffer_i(:) 
+  real(integral_kind), allocatable :: buffer_values(:)
+  integer(key_kind)  :: key
+   
+  call ezfio_set_mo_basis_mo_tot_num(mo_tot_num)
+
+  allocate (A(mo_tot_num_align,mo_tot_num))
+  
+  iunit = getunitandopen('kinetic_mo','r')
+  do 
+    read (iunit,*,end=10) i,j, integral
+    A(i,j) = integral
+  enddo
+  10 continue
+  close(iunit)
+  call write_one_e_integrals('mo_kinetic_integral', A, size(A,1), size(A,2))
+
+
+  iunit = getunitandopen('nuclear_mo','r')
+  do 
+    read (iunit,*,end=12) i,j, integral
+    A(i,j) = integral
+  enddo
+  12 continue
+  close(iunit)
+  call write_one_e_integrals('mo_ne_integral', A, size(A,1), size(A,2))
+
+  call ezfio_set_integrals_monoelec_disk_access_mo_one_integrals("Read")
+
+  allocate(buffer_i(mo_tot_num**4), buffer_values(mo_tot_num**4))
+   
+  iunit = getunitandopen('bielec_mo','r')
+  n_integrals=0
+  do 
+    read (iunit,*,end=13) i,j,k,l, integral
+    n_integrals += 1
+    call bielec_integrals_index(i, j, k, l, buffer_i(n_integrals) )
+    buffer_values(n_integrals) = integral
+  enddo
+  13 continue
+  close(iunit)
+  
+  call insert_into_mo_integrals_map(n_integrals,buffer_i,buffer_values)
+
+  call map_sort(mo_integrals_map)
+
+  call map_save_to_disk(trim(ezfio_filename)//'/work/mo_ints',mo_integrals_map)
+  call ezfio_set_integrals_bielec_disk_access_mo_integrals("Read")
+  
+end