Rename MonoInts into Integrals_Monoelec

.travis.yml

@@ -7,7 +7,7 @@ python:
 before_script:
   - sudo apt-get update
   - sudo apt-get install gfortran liblapack-dev 
-  - sudo apt-get install GraphViz
+  - sudo apt-get install graphviz
 
 script: 
   - ./setup_environment.sh --robot 

scripts/ezfio_interface/qp_convert_ezfio_v1_to_v2.sh

@@ -33,4 +33,6 @@ if [[ -f  $biint/read_ao_integrals ]]; then
     rm $biint/read_ao_integrals  $biint/write_ao_integrals  $biint/write_ao_intergals 2> /dev/null
 fi
 
+mv $1/MonoInts $1/Integrals_Monoelec
+
 echo "Done"

src/Bielec_integrals/NEEDED_CHILDREN_MODULES

@@ -1 +1 @@
-MonoInts Bitmask
+Integrals_Monoelec Bitmask

src/Bielec_integrals/README.rst

@@ -18,7 +18,7 @@ Needed Modules
 
 .. image:: tree_dependancy.png
 
-* `MonoInts <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts>`_
+* `Integrals_Monoelec <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec>`_
 * `Bitmask <http://github.com/LCPQ/quantum_package/tree/master/src/Bitmask>`_
 
 Documentation

src/Integrals_Monoelec/README.rst

@@ -15,217 +15,217 @@ Documentation
 .. Do not edit this section. It was auto-generated from the
 .. NEEDED_MODULES file.
 
-`ao_mono_elec_integral <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/ao_mono_ints.irp.f#L1>`_
+`ao_mono_elec_integral <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/ao_mono_ints.irp.f#L1>`_
   array of the mono electronic hamiltonian on the AOs basis
   : sum of the kinetic and nuclear electronic potential
 
-`check_ortho <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/check_orthonormality.irp.f#L1>`_
+`check_ortho <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/check_orthonormality.irp.f#L1>`_
   Undocumented
 
-`do_print <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/check_orthonormality.irp.f#L11>`_
+`do_print <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/check_orthonormality.irp.f#L11>`_
   Undocumented
 
-`n_pt_max_i_x <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/dimensions.irp.f#L2>`_
+`n_pt_max_i_x <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/dimensions.irp.f#L2>`_
   Undocumented
 
-`n_pt_max_integrals <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/dimensions.irp.f#L1>`_
+`n_pt_max_integrals <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/dimensions.irp.f#L1>`_
   Undocumented
 
-`ao_deriv2_x <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/kin_ao_ints.irp.f#L1>`_
+`ao_deriv2_x <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/kin_ao_ints.irp.f#L1>`_
   second derivatives matrix elements in the ao basis
   .. math::
   .br
   {\tt ao_deriv2_x} = \langle \chi_i(x,y,z) \frac{\partial^2}{\partial x^2} |\chi_j (x,y,z) \rangle
 
-`ao_deriv2_y <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/kin_ao_ints.irp.f#L2>`_
+`ao_deriv2_y <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/kin_ao_ints.irp.f#L2>`_
   second derivatives matrix elements in the ao basis
   .. math::
   .br
   {\tt ao_deriv2_x} = \langle \chi_i(x,y,z) \frac{\partial^2}{\partial x^2} |\chi_j (x,y,z) \rangle
 
-`ao_deriv2_z <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/kin_ao_ints.irp.f#L3>`_
+`ao_deriv2_z <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/kin_ao_ints.irp.f#L3>`_
   second derivatives matrix elements in the ao basis
   .. math::
   .br
   {\tt ao_deriv2_x} = \langle \chi_i(x,y,z) \frac{\partial^2}{\partial x^2} |\chi_j (x,y,z) \rangle
 
-`ao_kinetic_integral <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/kin_ao_ints.irp.f#L125>`_
+`ao_kinetic_integral <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/kin_ao_ints.irp.f#L125>`_
   array of the priminitve basis kinetic integrals
   \langle \chi_i |\hat{T}| \chi_j \rangle
 
-`mo_kinetic_integral <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/kin_mo_ints.irp.f#L1>`_
+`mo_kinetic_integral <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/kin_mo_ints.irp.f#L1>`_
   Undocumented
 
-`mo_mono_elec_integral <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/mo_mono_ints.irp.f#L1>`_
+`mo_mono_elec_integral <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/mo_mono_ints.irp.f#L1>`_
   array of the mono electronic hamiltonian on the MOs basis
   : sum of the kinetic and nuclear electronic potential
 
-`orthonormalize_mos <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/orthonormalize.irp.f#L1>`_
+`orthonormalize_mos <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/orthonormalize.irp.f#L1>`_
   Undocumented
 
-`ao_nucl_elec_integral <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/pot_ao_ints.irp.f#L1>`_
+`ao_nucl_elec_integral <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/pot_ao_ints.irp.f#L1>`_
   interaction nuclear electron
 
-`ao_nucl_elec_integral_per_atom <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/pot_ao_ints.irp.f#L72>`_
+`ao_nucl_elec_integral_per_atom <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/pot_ao_ints.irp.f#L72>`_
   ao_nucl_elec_integral_per_atom(i,j,k) = -<AO(i)|1/|r-Rk|AO(j)>
   where Rk is the geometry of the kth atom
 
-`give_polynom_mult_center_mono_elec <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/pot_ao_ints.irp.f#L218>`_
+`give_polynom_mult_center_mono_elec <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/pot_ao_ints.irp.f#L218>`_
   Undocumented
 
-`i_x1_pol_mult_mono_elec <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/pot_ao_ints.irp.f#L346>`_
+`i_x1_pol_mult_mono_elec <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/pot_ao_ints.irp.f#L346>`_
   Undocumented
 
-`i_x2_pol_mult_mono_elec <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/pot_ao_ints.irp.f#L417>`_
+`i_x2_pol_mult_mono_elec <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/pot_ao_ints.irp.f#L417>`_
   Undocumented
 
-`int_gaus_pol <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/pot_ao_ints.irp.f#L488>`_
+`int_gaus_pol <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/pot_ao_ints.irp.f#L488>`_
   Undocumented
 
-`nai_pol_mult <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/pot_ao_ints.irp.f#L139>`_
+`nai_pol_mult <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/pot_ao_ints.irp.f#L139>`_
   Undocumented
 
-`v_e_n <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/pot_ao_ints.irp.f#L469>`_
+`v_e_n <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/pot_ao_ints.irp.f#L469>`_
   Undocumented
 
-`v_phi <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/pot_ao_ints.irp.f#L533>`_
+`v_phi <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/pot_ao_ints.irp.f#L533>`_
   Undocumented
 
-`v_r <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/pot_ao_ints.irp.f#L517>`_
+`v_r <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/pot_ao_ints.irp.f#L517>`_
   Undocumented
 
-`v_theta <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/pot_ao_ints.irp.f#L546>`_
+`v_theta <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/pot_ao_ints.irp.f#L546>`_
   Undocumented
 
-`wallis <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/pot_ao_ints.irp.f#L562>`_
+`wallis <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/pot_ao_ints.irp.f#L562>`_
   Undocumented
 
-`ao_pseudo_integral <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/pot_ao_pseudo_ints.irp.f#L1>`_
+`ao_pseudo_integral <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/pot_ao_pseudo_ints.irp.f#L1>`_
   Pseudo-potential
 
-`ao_pseudo_integral_local <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/pot_ao_pseudo_ints.irp.f#L13>`_
+`ao_pseudo_integral_local <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/pot_ao_pseudo_ints.irp.f#L13>`_
   Local pseudo-potential
 
-`ao_pseudo_integral_non_local <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/pot_ao_pseudo_ints.irp.f#L119>`_
+`ao_pseudo_integral_non_local <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/pot_ao_pseudo_ints.irp.f#L119>`_
   Local pseudo-potential
 
-`mo_nucl_elec_integral <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/pot_mo_ints.irp.f#L1>`_
+`mo_nucl_elec_integral <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/pot_mo_ints.irp.f#L1>`_
   interaction nuclear electron on the MO basis
 
-`mo_nucl_elec_integral_per_atom <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/pot_mo_ints.irp.f#L30>`_
+`mo_nucl_elec_integral_per_atom <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/pot_mo_ints.irp.f#L30>`_
   mo_nucl_elec_integral_per_atom(i,j,k) = -<MO(i)|1/|r-Rk|MO(j)>
   where Rk is the geometry of the kth atom
 
-`mo_pseudo_integral <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/pot_mo_pseudo_ints.irp.f#L1>`_
+`mo_pseudo_integral <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/pot_mo_pseudo_ints.irp.f#L1>`_
   interaction nuclear electron on the MO basis
 
-`save_ortho_mos <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/save_ortho_mos.irp.f#L1>`_
+`save_ortho_mos <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/save_ortho_mos.irp.f#L1>`_
   Undocumented
 
-`ao_deriv_1_x <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_ao.irp.f#L148>`_
+`ao_deriv_1_x <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_ao.irp.f#L148>`_
   array of the integrals of AO_i * d/dx  AO_j
   array of the integrals of AO_i * d/dy  AO_j
   array of the integrals of AO_i * d/dz  AO_j
 
-`ao_deriv_1_y <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_ao.irp.f#L149>`_
+`ao_deriv_1_y <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_ao.irp.f#L149>`_
   array of the integrals of AO_i * d/dx  AO_j
   array of the integrals of AO_i * d/dy  AO_j
   array of the integrals of AO_i * d/dz  AO_j
 
-`ao_deriv_1_z <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_ao.irp.f#L150>`_
+`ao_deriv_1_z <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_ao.irp.f#L150>`_
   array of the integrals of AO_i * d/dx  AO_j
   array of the integrals of AO_i * d/dy  AO_j
   array of the integrals of AO_i * d/dz  AO_j
 
-`ao_dipole_x <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_ao.irp.f#L75>`_
+`ao_dipole_x <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_ao.irp.f#L75>`_
   array of the integrals of AO_i * x AO_j
   array of the integrals of AO_i * y AO_j
   array of the integrals of AO_i * z AO_j
 
-`ao_dipole_y <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_ao.irp.f#L76>`_
+`ao_dipole_y <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_ao.irp.f#L76>`_
   array of the integrals of AO_i * x AO_j
   array of the integrals of AO_i * y AO_j
   array of the integrals of AO_i * z AO_j
 
-`ao_dipole_z <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_ao.irp.f#L77>`_
+`ao_dipole_z <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_ao.irp.f#L77>`_
   array of the integrals of AO_i * x AO_j
   array of the integrals of AO_i * y AO_j
   array of the integrals of AO_i * z AO_j
 
-`ao_spread_x <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_ao.irp.f#L1>`_
+`ao_spread_x <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_ao.irp.f#L1>`_
   array of the integrals of AO_i * x^2 AO_j
   array of the integrals of AO_i * y^2 AO_j
   array of the integrals of AO_i * z^2 AO_j
 
-`ao_spread_y <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_ao.irp.f#L2>`_
+`ao_spread_y <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_ao.irp.f#L2>`_
   array of the integrals of AO_i * x^2 AO_j
   array of the integrals of AO_i * y^2 AO_j
   array of the integrals of AO_i * z^2 AO_j
 
-`ao_spread_z <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_ao.irp.f#L3>`_
+`ao_spread_z <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_ao.irp.f#L3>`_
   array of the integrals of AO_i * x^2 AO_j
   array of the integrals of AO_i * y^2 AO_j
   array of the integrals of AO_i * z^2 AO_j
 
-`overlap_bourrin_deriv_x <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_ao.irp.f#L365>`_
+`overlap_bourrin_deriv_x <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_ao.irp.f#L365>`_
   Undocumented
 
-`overlap_bourrin_dipole <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_ao.irp.f#L318>`_
+`overlap_bourrin_dipole <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_ao.irp.f#L318>`_
   Undocumented
 
-`overlap_bourrin_spread <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_ao.irp.f#L265>`_
+`overlap_bourrin_spread <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_ao.irp.f#L265>`_
   Undocumented
 
-`overlap_bourrin_x <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_ao.irp.f#L380>`_
+`overlap_bourrin_x <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_ao.irp.f#L380>`_
   Undocumented
 
-`overlap_bourrin_x_abs <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_ao.irp.f#L226>`_
+`overlap_bourrin_x_abs <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_ao.irp.f#L226>`_
   Undocumented
 
-`power <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_ao.irp.f#L310>`_
+`power <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_ao.irp.f#L310>`_
   Undocumented
 
-`mo_deriv_1_x <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_mo.irp.f#L69>`_
+`mo_deriv_1_x <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_mo.irp.f#L69>`_
   array of the integrals of MO_i * d/dx  MO_j
   array of the integrals of MO_i * d/dy  MO_j
   array of the integrals of MO_i * d/dz  MO_j
 
-`mo_deriv_1_y <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_mo.irp.f#L70>`_
+`mo_deriv_1_y <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_mo.irp.f#L70>`_
   array of the integrals of MO_i * d/dx  MO_j
   array of the integrals of MO_i * d/dy  MO_j
   array of the integrals of MO_i * d/dz  MO_j
 
-`mo_deriv_1_z <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_mo.irp.f#L71>`_
+`mo_deriv_1_z <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_mo.irp.f#L71>`_
   array of the integrals of MO_i * d/dx  MO_j
   array of the integrals of MO_i * d/dy  MO_j
   array of the integrals of MO_i * d/dz  MO_j
 
-`mo_dipole_x <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_mo.irp.f#L1>`_
+`mo_dipole_x <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_mo.irp.f#L1>`_
   array of the integrals of MO_i * x MO_j
   array of the integrals of MO_i * y MO_j
   array of the integrals of MO_i * z MO_j
 
-`mo_dipole_y <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_mo.irp.f#L2>`_
+`mo_dipole_y <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_mo.irp.f#L2>`_
   array of the integrals of MO_i * x MO_j
   array of the integrals of MO_i * y MO_j
   array of the integrals of MO_i * z MO_j
 
-`mo_dipole_z <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_mo.irp.f#L3>`_
+`mo_dipole_z <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_mo.irp.f#L3>`_
   array of the integrals of MO_i * x MO_j
   array of the integrals of MO_i * y MO_j
   array of the integrals of MO_i * z MO_j
 
-`mo_spread_x <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_mo.irp.f#L36>`_
+`mo_spread_x <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_mo.irp.f#L36>`_
   array of the integrals of MO_i * x^2 MO_j
   array of the integrals of MO_i * y^2 MO_j
   array of the integrals of MO_i * z^2 MO_j
 
-`mo_spread_y <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_mo.irp.f#L37>`_
+`mo_spread_y <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_mo.irp.f#L37>`_
   array of the integrals of MO_i * x^2 MO_j
   array of the integrals of MO_i * y^2 MO_j
   array of the integrals of MO_i * z^2 MO_j
 
-`mo_spread_z <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts/spread_dipole_mo.irp.f#L38>`_
+`mo_spread_z <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec/spread_dipole_mo.irp.f#L38>`_
   array of the integrals of MO_i * x^2 MO_j
   array of the integrals of MO_i * y^2 MO_j
   array of the integrals of MO_i * z^2 MO_j

src/Integrals_Monoelec/pot_ao_pseudo_ints.irp.f

@@ -39,7 +39,7 @@ END_PROVIDER
   ! \_ (_| | (_ |_| | 
   !                   
 
-  write(output_monoints,*) 'Providing the nuclear electron pseudo integrals '
+  print*, 'Providing the nuclear electron pseudo integrals '
 
   call wall_time(wall_1)
   call cpu_time(cpu_1)
@@ -49,7 +49,7 @@ END_PROVIDER
   !$OMP PRIVATE (i,j,k,l,m,alpha,beta,A_center,B_center,C_center,power_A,power_B, &
   !$OMP          num_A,num_B,Z,c,n_pt_in, &
   !$OMP          v_k_dump,n_k_dump, dz_k_dump, &
-  !$OMP          wall_0,wall_2,thread_num, output_monoints) & 
+  !$OMP          wall_0,wall_2,thread_num) & 
   !$OMP SHARED (ao_num,ao_prim_num,ao_expo_ordered_transp,ao_power,ao_nucl,nucl_coord,ao_coef_normalized_ordered_transp, &
   !$OMP         ao_pseudo_integral_local,nucl_num,nucl_charge, &
   !$OMP         pseudo_klocmax,pseudo_lmax,pseudo_kmax,pseudo_v_k,pseudo_n_k, pseudo_dz_k, &
@@ -101,7 +101,7 @@ END_PROVIDER
     if (thread_num == 0) then
       if (wall_2 - wall_0 > 1.d0) then
         wall_0 = wall_2
-        write(output_monoints,*) 100.*float(j)/float(ao_num), '% in ',  &
+        print*, 100.*float(j)/float(ao_num), '% in ',  &
                                  wall_2-wall_1, 's'
       endif
     endif
@@ -144,7 +144,7 @@ END_PROVIDER
   ! \_ (_| | (_ |_| | 
   !                   
 
-  write(output_monoints,*) 'Providing the nuclear electron pseudo integrals '
+  print*, 'Providing the nuclear electron pseudo integrals '
 
   call wall_time(wall_1)
   call cpu_time(cpu_1)
@@ -154,7 +154,7 @@ END_PROVIDER
   !$OMP PRIVATE (i,j,k,l,m,alpha,beta,A_center,B_center,C_center,power_A,power_B, &
   !$OMP          num_A,num_B,Z,c,n_pt_in, &
   !$OMP          n_kl_dump, v_kl_dump, dz_kl_dump, &
-  !$OMP          wall_0,wall_2,thread_num, output_monoints) & 
+  !$OMP          wall_0,wall_2,thread_num) & 
   !$OMP SHARED (ao_num,ao_prim_num,ao_expo_ordered_transp,ao_power,ao_nucl,nucl_coord,ao_coef_normalized_ordered_transp, &
   !$OMP         ao_pseudo_integral_non_local,nucl_num,nucl_charge, &
   !$OMP         pseudo_klocmax,pseudo_lmax,pseudo_kmax,pseudo_n_kl, pseudo_v_kl, pseudo_dz_kl, &
@@ -205,7 +205,7 @@ END_PROVIDER
     if (thread_num == 0) then
       if (wall_2 - wall_0 > 1.d0) then
         wall_0 = wall_2
-        write(output_monoints,*) 100.*float(j)/float(ao_num), '% in ',  &
+        print*, 100.*float(j)/float(ao_num), '% in ',  &
                                  wall_2-wall_1, 's'
       endif
     endif

src/MOGuess/NEEDED_CHILDREN_MODULES

@@ -1 +1 @@
-MonoInts
+Integrals_Monoelec

src/MOGuess/README.rst

@@ -10,7 +10,7 @@ Needed Modules
 
 .. image:: tree_dependancy.png
 
-* `MonoInts <http://github.com/LCPQ/quantum_package/tree/master/src/MonoInts>`_
+* `Integrals_Monoelec <http://github.com/LCPQ/quantum_package/tree/master/src/Integrals_Monoelec>`_
 
 Documentation
 =============

src/NEEDED_MODULES

@@ -1 +1 @@
-AOs Bielec_integrals Bitmask CAS_SD CID CID_SC2_selected CID_selected CIS CISD CISD_SC2_selected CISD_selected DDCI_selected Determinants Electrons Ezfio_files FCIdump Full_CI Generators_CAS Generators_full Hartree_Fock MOGuess Molden MonoInts MOs MP2 MRCC Nuclei Pseudo Selectors_full Utils
+AOs Bielec_integrals Bitmask CAS_SD CID CID_SC2_selected CID_selected CIS CISD CISD_SC2_selected CISD_selected DDCI_selected Determinants Electrons Ezfio_files FCIdump Full_CI Generators_CAS Generators_full Hartree_Fock MOGuess Molden Integrals_Monoelec MOs MP2 MRCC Nuclei Pseudo Selectors_full Utils