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OpenMP for tmp_m in GW_ppBSE_static_kernel_C
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@ -51,6 +51,10 @@ subroutine GW_ppBSE_static_kernel_C(ispin,eta,nBas,nC,nO,nV,nR,nS,nVV,lambda,ERI
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allocate(tmp_m(nBas,nBas,nS))
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allocate(tmp(nBas,nBas,nBas,nBas))
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!$OMP PARALLEL DEFAULT(NONE) &
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!$OMP PRIVATE(m, c, a, eps) &
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!$OMP SHARED(nS, nBas, eta2, Om, rho, tmp_m)
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!$OMP DO
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do m = 1, nS
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eps = Om(m) / (Om(m)*Om(m) + eta2)
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do c = 1, nBas
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@ -59,6 +63,8 @@ subroutine GW_ppBSE_static_kernel_C(ispin,eta,nBas,nC,nO,nV,nR,nS,nVV,lambda,ERI
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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 PARALLEL
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call dgemm("N", "T", nBas*nBas, nBas*nBas, nS, 1.d0, &
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tmp_m(1,1,1), nBas*nBas, rho(1,1,1), nBas*nBas, &
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@ -216,6 +222,10 @@ subroutine GW_ppBSE_static_kernel_C(ispin,eta,nBas,nC,nO,nV,nR,nS,nVV,lambda,ERI
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allocate(tmp_m(nBas,nBas,nS))
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allocate(tmp(nBas,nBas,nBas,nBas))
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!$OMP PARALLEL DEFAULT(NONE) &
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!$OMP PRIVATE(m, c, a, eps) &
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!$OMP SHARED(nS, nBas, eta2, Om, rho, tmp_m)
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!$OMP DO
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do m = 1, nS
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eps = Om(m) / (Om(m)*Om(m) + eta2)
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do c = 1, nBas
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@ -224,6 +234,8 @@ subroutine GW_ppBSE_static_kernel_C(ispin,eta,nBas,nC,nO,nV,nR,nS,nVV,lambda,ERI
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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 PARALLEL
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call dgemm("N", "T", nBas*nBas, nBas*nBas, nS, 1.d0, &
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tmp_m(1,1,1), nBas*nBas, rho(1,1,1), nBas*nBas, &
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