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Removed debug prints
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f2e3a12c05
commit
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@ -585,9 +585,7 @@ let run ?o b au c d m p cart xyz_file =
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let shell_prim_num =
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list_map List.length lc
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in
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Printf.printf "Coucou\n%!";
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let shell_idx =
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Printf.printf "Coucou\n%!";
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let rec make_list n accu = function
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| 0 -> accu
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| i -> make_list n (n :: accu) (i-1)
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@ -529,10 +529,14 @@ subroutine orb_range_2_rdm_state_av_openmp_work_$N_int(big_array,dim1,norb,list_
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c_average += c_1(l) * c_1(l) * state_weights(l)
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enddo
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call update_keys_values(keys,values,nkeys,dim1,big_array,lock_2rdm)
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if (nkeys > 0) then
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call update_keys_values(keys,values,nkeys,dim1,big_array,lock_2rdm)
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endif
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nkeys = 0
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call orb_range_diag_to_all_2_rdm_dm_buffer(tmp_det,c_average,orb_bitmask,list_orb_reverse,ispin,sze_buff,nkeys,keys,values)
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call update_keys_values(keys,values,nkeys,dim1,big_array,lock_2rdm)
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if (nkeys > 0) then
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call update_keys_values(keys,values,nkeys,dim1,big_array,lock_2rdm)
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endif
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nkeys = 0
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end do
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