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@ -380,7 +380,7 @@ subroutine H_S2_u_0_nstates(v_0,s_0,u_0,H_jj,S2_jj,n,keys_tmp,Nint,N_st,sze_8)
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enddo
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enddo
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!$OMP END DO
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!$OMP END DO
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!$OMP DO SCHEDULE(static,1) COLLAPSE(2)
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!$OMP DO SCHEDULE(dynamic)
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do sh=1,shortcut(0,1)
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do sh=1,shortcut(0,1)
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do sh2=1,shortcut(0,1)
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do sh2=1,shortcut(0,1)
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if (sh==sh2) cycle
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if (sh==sh2) cycle
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@ -48,6 +48,6 @@ function run_FCI_ZMQ() {
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@test "FCI H2O VDZ pseudo" {
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@test "FCI H2O VDZ pseudo" {
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qp_set_mo_class h2o_pseudo.ezfio -core "[1]" -act "[2-12]" -del "[13-23]"
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qp_set_mo_class h2o_pseudo.ezfio -core "[1]" -act "[2-12]" -del "[13-23]"
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run_FCI_ZMQ h2o_pseudo.ezfio 2000 -17.035547572687399 -17.035583407558221
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run_FCI_ZMQ h2o_pseudo.ezfio 2000 -17.0399584106077 -17.0400170044515
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}
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}
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