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rm print ispin
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commit
8e6b5ed103
@ -54,6 +54,8 @@ subroutine GTpp_excitation_density(ispin,nBas,nC,nO,nV,nR,nOO,nVV,ERI,X1,Y1,rho1
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if(ispin == 1) then
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print*, "ispin = ", ispin
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!$OMP PARALLEL DEFAULT(NONE) &
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!$OMP PRIVATE(p, q, a, b, ab, c, d, cd, i, j, ij, k, l, kl) &
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!$OMP SHARED(nC, nBas, nR, nO, rho1, rho2, ERI, X1, Y1, X2, Y2)
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@ -267,6 +269,8 @@ subroutine GTpp_excitation_density(ispin,nBas,nC,nO,nV,nR,nOO,nVV,ERI,X1,Y1,rho1
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if(ispin == 3) then
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print*, "ispin = ", ispin
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dim_1 = (nBas - nO) * (nBas - nO)
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dim_2 = nO * nO
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