mirror of
https://github.com/LCPQ/quantum_package
synced 2024-06-26 15:12:14 +02:00
Fix tag in readme
This commit is contained in:
Thomas Applencourt
parent
5b708a5225
commit
17526b3d53
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@ -475,6 +475,7 @@ def ninja_readme_rule():
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"""
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l_string = ["rule build_readme",
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" command = cd $module_abs ; update_README.py $module_root",
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" description = update_README $module_rel",
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" generator = 1", ""]
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return l_string
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@ -485,9 +486,10 @@ def ninja_readme_build(path_module, d_irp, dict_root_path):
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Rule for creation the readme
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"""
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path_readme = join(path_module.abs, "README.rst")
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l_depend = d_irp[path_module]["l_depend"]
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root_module = dict_root_path[module]
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l_depend = d_irp[path_module]["l_depend"] + [join(root_module.abs, "tags")]
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l_string = ["build {0}: build_readme {1}".format(path_readme,
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" ".join(l_depend)),
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" module_root = {0}".format(root_module.abs),
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@ -669,7 +671,7 @@ def ninja_dot_tree_rule():
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def ninja_dot_tree_build(path_module, l_module):
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path_tree = join(path_module.abs, "tree_dependency.png")
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l_dep = [path.abs for path in l_module]
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l_dep = [join(path.abs, "NEEDED_CHILDREN_MODULES") for path in l_module]
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l_string = ["build {0}: build_dot_tree {1}".format(path_tree, " ".join(l_dep)),
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" module_abs = {0}".format(path_module.abs),
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" module_rel = {0}".format(path_module.rel), ""]
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@ -250,3 +250,14 @@ if __name__ == '__main__':
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os.remove(os.path.join(module_abs,f))
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except:
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pass
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for f in os.listdir(module_abs):
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def is_exe(fpath):
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return os.path.isfile(fpath) and os.access(fpath, os.X_OK)
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if is_exe(f):
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try:
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os.remove(os.path.join(module_abs, f))
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except:
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pass
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@ -24,15 +24,13 @@ try:
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except:
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ROOT_module = os.getcwd()
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if ROOT_module != os.getcwd:
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if ROOT_module != os.getcwd():
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change = True
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else:
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change = False
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MODULE_NAME = os.path.basename(os.getcwd())
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print MODULE_NAME
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print ROOT_module
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header = """
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.. Do not edit this section. It was auto-generated from the
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@ -492,10 +492,6 @@ Documentation
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Maximum degree of excitation in the wf
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`mo_label <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/ezfio_interface.irp.f#L204>`_
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o_label
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`mono_elec_ref_bitmask_energy <http://github.com/LCPQ/quantum_package/tree/master/src/Determinants/ref_bitmask.irp.f#L2>`_
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Energy of the reference bitmask used in Slater rules
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@ -30,159 +30,79 @@ Documentation
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.br
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`output_aos <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L1>`_
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Output file for AOs
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`output_ao_basis <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L1>`_
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Output file for AO_Basis
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`output_bitmask <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L21>`_
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Output file for Bitmask
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`output_cas_sd <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L41>`_
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Output file for CAS_SD
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`output_cid <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L61>`_
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Output file for CID
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`output_cid_sc2_selected <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L81>`_
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Output file for CID_SC2_selected
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`output_cid_selected <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L101>`_
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Output file for CID_selected
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`output_cis <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L121>`_
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Output file for CIS
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`output_cisd <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L141>`_
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Output file for CISD
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`output_cisd_sc2_selected <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L161>`_
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Output file for CISD_SC2_selected
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`output_cisd_selected <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L181>`_
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Output file for CISD_selected
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`output_cpu_time_0 <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f#L2>`_
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Initial CPU and wall times when printing in the output files
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`output_ddci_selected <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L201>`_
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Output file for DDCI_selected
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`output_densityfit <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L221>`_
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Output file for DensityFit
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`output_densitymatrix <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L241>`_
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Output file for DensityMatrix
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`output_determinants <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L261>`_
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`output_determinants <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L41>`_
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Output file for Determinants
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`output_electrons <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L281>`_
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`output_electrons <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L61>`_
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Output file for Electrons
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`output_ezfio_files <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L301>`_
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`output_ezfio_files <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L81>`_
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Output file for Ezfio_files
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`output_fcidump <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L321>`_
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Output file for FCIdump
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`output_full_ci <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L341>`_
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`output_full_ci <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L101>`_
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Output file for Full_CI
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`output_generators_cas <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L361>`_
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Output file for Generators_CAS
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`output_generators_full <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L381>`_
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`output_generators_full <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L121>`_
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Output file for Generators_full
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`output_generators_restart <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L401>`_
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Output file for Generators_restart
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`output_hartree_fock <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L421>`_
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`output_hartree_fock <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L141>`_
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Output file for Hartree_Fock
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`output_integrals_bielec <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L441>`_
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`output_integrals_bielec <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L161>`_
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Output file for Integrals_Bielec
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`output_integrals_monoelec <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L461>`_
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`output_integrals_monoelec <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L181>`_
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Output file for Integrals_Monoelec
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`output_moguess <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L481>`_
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`output_mo_basis <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L201>`_
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Output file for MO_Basis
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`output_moguess <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L221>`_
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Output file for MOGuess
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`output_molden <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L501>`_
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Output file for Molden
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`output_mos <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L521>`_
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Output file for MOs
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`output_mp2 <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L541>`_
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Output file for MP2
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`output_mrcc <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L561>`_
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Output file for MRCC
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`output_nuclei <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L581>`_
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`output_nuclei <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L241>`_
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Output file for Nuclei
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`output_perturbation <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L601>`_
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`output_perturbation <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L261>`_
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Output file for Perturbation
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`output_properties <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L621>`_
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`output_properties <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L281>`_
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Output file for Properties
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`output_pseudo <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L641>`_
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`output_pseudo <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L301>`_
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Output file for Pseudo
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`output_qmcchem <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L661>`_
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Output file for QmcChem
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`output_selectors_full <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L681>`_
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`output_selectors_full <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L321>`_
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Output file for Selectors_full
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`output_selectors_no_sorted <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L701>`_
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Output file for Selectors_no_sorted
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`output_singlerefmethod <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L721>`_
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Output file for SingleRefMethod
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`output_utils <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L741>`_
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`output_utils <http://github.com/LCPQ/quantum_package/tree/master/src/Ezfio_files/output.irp.f_shell_40#L341>`_
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Output file for Utils
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