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free two (3xN_gridxMOxMO) tables in TC-CIPSI
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@ -63,7 +63,9 @@ subroutine run_cipsi_tc
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call provide_all_three_ints_bi_ortho()
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endif
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endif
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! ---
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FREE int2_grad1_u12_bimo_transp int2_grad1_u12_ao_transp
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write(json_unit,json_array_open_fmt) 'fci_tc'
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if (do_pt2) then
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@ -78,13 +80,16 @@ subroutine run_cipsi_tc
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call json_close
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else
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PROVIDE mo_bi_ortho_tc_one_e mo_bi_ortho_tc_two_e pt2_min_parallel_tasks
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if(elec_alpha_num+elec_beta_num.ge.3)then
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if(three_body_h_tc)then
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call provide_all_three_ints_bi_ortho
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endif
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endif
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! ---
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FREE int2_grad1_u12_bimo_transp int2_grad1_u12_ao_transp
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call run_slave_cipsi
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