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@ -115,7 +115,7 @@ subroutine ccsd_par_t_space_v3(nO,nV,t1,t2,f_o,f_v,v_vvvo,v_vvoo,v_vooo,energy)
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V_abc(nO,nO,nO), V_cab(nO,nO,nO), V_bca(nO,nO,nO), &
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V_bac(nO,nO,nO), V_cba(nO,nO,nO), V_acb(nO,nO,nO) )
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e = 0d0
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!$OMP DO
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!$OMP DO SCHEDULE(dynamic)
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do a = 1, nV
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do b = 1, a-1
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do c = 1, b-1
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@ -142,6 +142,7 @@ subroutine ccsd_par_t_space_v3(nO,nV,t1,t2,f_o,f_v,v_vvvo,v_vvoo,v_vooo,energy)
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c = a
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do b = 1, nV
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if (b == c) cycle
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delta_abc = f_v(a) + f_v(b) + f_v(c)
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call form_w_abc(nO,nV,a,b,c,T_voov,T_oovv,X_vovv,X_ooov,W_abc,W_cba,W_bca,W_cab,W_bac,W_acb)
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call form_v_abc(nO,nV,a,b,c,t1,X_oovv,W_abc,V_abc,W_cba,V_cba,W_bca,V_bca,W_cab,V_cab,W_bac,V_bac,W_acb,V_acb)
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@ -159,7 +160,8 @@ subroutine ccsd_par_t_space_v3(nO,nV,t1,t2,f_o,f_v,v_vvvo,v_vvoo,v_vooo,energy)
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enddo
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enddo
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enddo
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!$OMP END DO
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!$OMP END DO NOWAIT
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!$OMP CRITICAL
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energy = energy + e
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!$OMP END CRITICAL
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