Realy fix #84

configure

@@ -470,8 +470,10 @@ def create_ninja_and_rc(l_installed):
                                    "qp_create_ninja.py")
 
     l = [qp_create_ninja, "create"] + sys.argv[1:]
+
     try:
-        subprocess.check_call(" ".join(l), shell=True,stderr="/dev/null")
+        with open('/dev/null', 'w') as dnull:
+            subprocess.check_call(" ".join(l), shell=True,stderr=dnull)
     except:
         print "[ FAIL ]"
         print "Check the valididy of the config file provided ({0})".format(sys.argv[1])

plugins/loc_cele/NEEDED_CHILDREN_MODULES

@@ -1 +1 @@
-AO_Basis Electrons Ezfio_files MO_Basis Nuclei Utils
+MO_Basis

plugins/loc_cele/README.rst

@@ -19,10 +19,5 @@ Needed Modules
 
 .. image:: tree_dependency.png
 
-* `AO_Basis <http://github.com/LCPQ/quantum_package/tree/master/src/AO_Basis>`_
-* `Electrons <http://github.com/LCPQ/quantum_package/tree/master/src/Electrons>`_
-* `Ezfio_files <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files>`_
 * `MO_Basis <http://github.com/LCPQ/quantum_package/tree/master/src/MO_Basis>`_
-* `Nuclei <http://github.com/LCPQ/quantum_package/tree/master/src/Nuclei>`_
-* `Utils <http://github.com/LCPQ/quantum_package/tree/master/src/Utils>`_
 

src/Determinants/README.rst

@@ -401,6 +401,10 @@ Documentation
   H matrix on the basis of the slater determinants defined by psi_det
 
 
+`h_matrix_cas <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/psi_cas.irp.f#L115>`_
+  Undocumented
+
+
 `h_u_0 <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/slater_rules.irp.f#L1071>`_
   Computes v_0 = H|u_0>
   .br
@@ -458,7 +462,7 @@ Documentation
   determinants. idx_cas gives the indice of the CAS determinant in psi_det.
 
 
-`idx_non_cas <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/psi_cas.irp.f#L62>`_
+`idx_non_cas <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/psi_cas.irp.f#L65>`_
   Set of determinants which are not part of the CAS, defined from the application
   of the CAS bitmask on the determinants.
   idx_non_cas gives the indice of the determinant in psi_det.
@@ -529,7 +533,7 @@ Documentation
   Max number of determinants in the wave function when you select for a given property
 
 
-`n_det_non_cas <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/psi_cas.irp.f#L63>`_
+`n_det_non_cas <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/psi_cas.irp.f#L66>`_
   Set of determinants which are not part of the CAS, defined from the application
   of the CAS bitmask on the determinants.
   idx_non_cas gives the indice of the determinant in psi_det.
@@ -623,12 +627,20 @@ Documentation
   determinants. idx_cas gives the indice of the CAS determinant in psi_det.
 
 
-`psi_cas_coef_sorted_bit <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/psi_cas.irp.f#L47>`_
+`psi_cas_coef_sorted_bit <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/psi_cas.irp.f#L50>`_
   CAS determinants sorted to accelerate the search of a random determinant in the wave
   function.
 
 
-`psi_cas_sorted_bit <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/psi_cas.irp.f#L46>`_
+`psi_cas_energy <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/psi_cas.irp.f#L146>`_
+  Undocumented
+
+
+`psi_cas_energy_diagonalized <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/psi_cas.irp.f#L128>`_
+  Undocumented
+
+
+`psi_cas_sorted_bit <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/psi_cas.irp.f#L49>`_
   CAS determinants sorted to accelerate the search of a random determinant in the wave
   function.
 
@@ -638,6 +650,10 @@ Documentation
   is empty
 
 
+`psi_coef_cas_diagonalized <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/psi_cas.irp.f#L127>`_
+  Undocumented
+
+
 `psi_coef_sorted <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/determinants.irp.f#L302>`_
   Wave function sorted by determinants contribution to the norm (state-averaged)
 
@@ -706,24 +722,24 @@ Documentation
   the research of connected determinants.
 
 
-`psi_non_cas <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/psi_cas.irp.f#L60>`_
+`psi_non_cas <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/psi_cas.irp.f#L63>`_
   Set of determinants which are not part of the CAS, defined from the application
   of the CAS bitmask on the determinants.
   idx_non_cas gives the indice of the determinant in psi_det.
 
 
-`psi_non_cas_coef <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/psi_cas.irp.f#L61>`_
+`psi_non_cas_coef <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/psi_cas.irp.f#L64>`_
   Set of determinants which are not part of the CAS, defined from the application
   of the CAS bitmask on the determinants.
   idx_non_cas gives the indice of the determinant in psi_det.
 
 
-`psi_non_cas_coef_sorted_bit <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/psi_cas.irp.f#L100>`_
+`psi_non_cas_coef_sorted_bit <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/psi_cas.irp.f#L103>`_
   CAS determinants sorted to accelerate the search of a random determinant in the wave
   function.
 
 
-`psi_non_cas_sorted_bit <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/psi_cas.irp.f#L99>`_
+`psi_non_cas_sorted_bit <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/psi_cas.irp.f#L102>`_
   CAS determinants sorted to accelerate the search of a random determinant in the wave
   function.
 

src/Ezfio_files/README.rst

@@ -78,35 +78,43 @@ Documentation
   Output file for Integrals_Monoelec
 
 
-`output_mo_basis <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L221>`_
+`output_loc_cele <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L221>`_
+  Output file for loc_cele
+
+
+`output_mo_basis <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L241>`_
   Output file for MO_Basis
 
 
-`output_moguess <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L241>`_
+`output_moguess <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L261>`_
   Output file for MOGuess
 
 
-`output_nuclei <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L261>`_
+`output_molden <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L281>`_
+  Output file for Molden
+
+
+`output_nuclei <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L301>`_
   Output file for Nuclei
 
 
-`output_perturbation <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L281>`_
+`output_perturbation <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L321>`_
   Output file for Perturbation
 
 
-`output_properties <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L301>`_
+`output_properties <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L341>`_
   Output file for Properties
 
 
-`output_pseudo <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L321>`_
+`output_pseudo <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L361>`_
   Output file for Pseudo
 
 
-`output_selectors_full <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L341>`_
+`output_selectors_full <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L381>`_
   Output file for Selectors_full
 
 
-`output_utils <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L361>`_
+`output_utils <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L401>`_
   Output file for Utils