mirror of
https://github.com/LCPQ/quantum_package
synced 2024-08-27 23:11:46 +02:00
188 lines
5.8 KiB
Fortran
188 lines
5.8 KiB
Fortran
use bitmasks
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BEGIN_SHELL [ /usr/bin/env python ]
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from generate_h_apply import *
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s = H_apply("mrpt")
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s.data["parameters"] = ", delta_ij_, Ndet"
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s.data["declarations"] += """
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integer, intent(in) :: Ndet
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double precision, intent(in) :: delta_ij_(Ndet,Ndet,*)
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"""
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s.data["keys_work"] = "call mrpt_dress(delta_ij_,Ndet,i_generator,key_idx,keys_out,N_int,iproc,key_mask)"
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s.data["params_post"] += ", delta_ij_, Ndet"
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s.data["params_main"] += "delta_ij_, Ndet"
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s.data["decls_main"] += """
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integer, intent(in) :: Ndet
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double precision, intent(in) :: delta_ij_(Ndet,Ndet,*)
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"""
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s.data["finalization"] = ""
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s.data["copy_buffer"] = ""
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s.data["generate_psi_guess"] = ""
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s.data["size_max"] = "3072"
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print s
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s = H_apply("mrpt_1h")
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s.filter_only_1h()
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s.data["parameters"] = ", delta_ij_, Ndet"
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s.data["declarations"] += """
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integer, intent(in) :: Ndet
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double precision, intent(in) :: delta_ij_(Ndet,Ndet,*)
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"""
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s.data["keys_work"] = "call mrpt_dress(delta_ij_,Ndet,i_generator,key_idx,keys_out,N_int,iproc,key_mask)"
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s.data["params_post"] += ", delta_ij_, Ndet"
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s.data["params_main"] += "delta_ij_, Ndet"
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s.data["decls_main"] += """
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integer, intent(in) :: Ndet
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double precision, intent(in) :: delta_ij_(Ndet,Ndet,*)
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"""
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s.data["finalization"] = ""
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s.data["copy_buffer"] = ""
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s.data["generate_psi_guess"] = ""
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s.data["size_max"] = "3072"
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print s
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s = H_apply("mrpt_1p")
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s.filter_only_1p()
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s.data["parameters"] = ", delta_ij_, Ndet"
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s.data["declarations"] += """
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integer, intent(in) :: Ndet
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double precision, intent(in) :: delta_ij_(Ndet,Ndet,*)
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"""
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s.data["keys_work"] = "call mrpt_dress(delta_ij_,Ndet,i_generator,key_idx,keys_out,N_int,iproc,key_mask)"
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s.data["params_post"] += ", delta_ij_, Ndet"
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s.data["params_main"] += "delta_ij_, Ndet"
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s.data["decls_main"] += """
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integer, intent(in) :: Ndet
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double precision, intent(in) :: delta_ij_(Ndet,Ndet,*)
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"""
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s.data["finalization"] = ""
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s.data["copy_buffer"] = ""
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s.data["generate_psi_guess"] = ""
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s.data["size_max"] = "3072"
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print s
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s = H_apply("mrpt_1h1p")
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s.filter_only_1h1p()
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s.data["parameters"] = ", delta_ij_, Ndet"
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s.data["declarations"] += """
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integer, intent(in) :: Ndet
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double precision, intent(in) :: delta_ij_(Ndet,Ndet,*)
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"""
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s.data["keys_work"] = "call mrpt_dress(delta_ij_,Ndet,i_generator,key_idx,keys_out,N_int,iproc,key_mask)"
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s.data["params_post"] += ", delta_ij_, Ndet"
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s.data["params_main"] += "delta_ij_, Ndet"
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s.data["decls_main"] += """
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integer, intent(in) :: Ndet
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double precision, intent(in) :: delta_ij_(Ndet,Ndet,*)
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"""
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s.data["finalization"] = ""
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s.data["copy_buffer"] = ""
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s.data["generate_psi_guess"] = ""
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s.data["size_max"] = "3072"
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print s
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s = H_apply("mrpt_2p")
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s.filter_only_2p()
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s.data["parameters"] = ", delta_ij_, Ndet"
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s.data["declarations"] += """
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integer, intent(in) :: Ndet
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double precision, intent(in) :: delta_ij_(Ndet,Ndet,*)
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"""
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s.data["keys_work"] = "call mrpt_dress(delta_ij_,Ndet,i_generator,key_idx,keys_out,N_int,iproc,key_mask)"
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s.data["params_post"] += ", delta_ij_, Ndet"
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s.data["params_main"] += "delta_ij_, Ndet"
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s.data["decls_main"] += """
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integer, intent(in) :: Ndet
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double precision, intent(in) :: delta_ij_(Ndet,Ndet,*)
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"""
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s.data["finalization"] = ""
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s.data["copy_buffer"] = ""
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s.data["generate_psi_guess"] = ""
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s.data["size_max"] = "3072"
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print s
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s = H_apply("mrpt_2h")
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s.filter_only_2h()
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s.data["parameters"] = ", delta_ij_, Ndet"
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s.data["declarations"] += """
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integer, intent(in) :: Ndet
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double precision, intent(in) :: delta_ij_(Ndet,Ndet,*)
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"""
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s.data["keys_work"] = "call mrpt_dress(delta_ij_,Ndet,i_generator,key_idx,keys_out,N_int,iproc,key_mask)"
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s.data["params_post"] += ", delta_ij_, Ndet"
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s.data["params_main"] += "delta_ij_, Ndet"
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s.data["decls_main"] += """
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integer, intent(in) :: Ndet
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double precision, intent(in) :: delta_ij_(Ndet,Ndet,*)
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"""
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s.data["finalization"] = ""
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s.data["copy_buffer"] = ""
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s.data["generate_psi_guess"] = ""
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s.data["size_max"] = "3072"
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print s
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s = H_apply("mrpt_1h2p")
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s.filter_only_1h2p()
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s.data["parameters"] = ", delta_ij_, Ndet"
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s.data["declarations"] += """
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integer, intent(in) :: Ndet
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double precision, intent(in) :: delta_ij_(Ndet,Ndet,*)
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"""
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s.data["keys_work"] = "call mrpt_dress(delta_ij_,Ndet,i_generator,key_idx,keys_out,N_int,iproc,key_mask)"
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s.data["params_post"] += ", delta_ij_, Ndet"
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s.data["params_main"] += "delta_ij_, Ndet"
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s.data["decls_main"] += """
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integer, intent(in) :: Ndet
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double precision, intent(in) :: delta_ij_(Ndet,Ndet,*)
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"""
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s.data["finalization"] = ""
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s.data["copy_buffer"] = ""
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s.data["generate_psi_guess"] = ""
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s.data["size_max"] = "3072"
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print s
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s = H_apply("mrpt_2h1p")
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s.filter_only_2h1p()
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s.data["parameters"] = ", delta_ij_, Ndet"
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s.data["declarations"] += """
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integer, intent(in) :: Ndet
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double precision, intent(in) :: delta_ij_(Ndet,Ndet,*)
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"""
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s.data["keys_work"] = "call mrpt_dress(delta_ij_,Ndet,i_generator,key_idx,keys_out,N_int,iproc,key_mask)"
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s.data["params_post"] += ", delta_ij_, Ndet"
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s.data["params_main"] += "delta_ij_, Ndet"
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s.data["decls_main"] += """
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integer, intent(in) :: Ndet
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double precision, intent(in) :: delta_ij_(Ndet,Ndet,*)
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"""
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s.data["finalization"] = ""
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s.data["copy_buffer"] = ""
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s.data["generate_psi_guess"] = ""
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s.data["size_max"] = "3072"
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print s
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s = H_apply("mrpt_2h2p")
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s.filter_only_2h2p()
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s.data["parameters"] = ", delta_ij_, Ndet"
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s.data["declarations"] += """
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integer, intent(in) :: Ndet
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double precision, intent(in) :: delta_ij_(Ndet,Ndet,*)
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"""
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s.data["keys_work"] = "call mrpt_dress(delta_ij_,Ndet,i_generator,key_idx,keys_out,N_int,iproc,key_mask)"
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s.data["params_post"] += ", delta_ij_, Ndet"
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s.data["params_main"] += "delta_ij_, Ndet"
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s.data["decls_main"] += """
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integer, intent(in) :: Ndet
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double precision, intent(in) :: delta_ij_(Ndet,Ndet,*)
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"""
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s.data["finalization"] = ""
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s.data["copy_buffer"] = ""
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s.data["generate_psi_guess"] = ""
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s.data["size_max"] = "3072"
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print s
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END_SHELL
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