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34 lines
785 B
Fortran
34 lines
785 B
Fortran
subroutine CCSDT(t1,t2,EcCCT)
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! Compute the (T) correction of the CCSD(T) energy
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implicit none
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! Input variables
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double precision,intent(in) :: t1(spin_occ_num,spin_vir_num)
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double precision,intent(in) :: t2(spin_occ_num,spin_occ_num,spin_vir_num,spin_vir_num)
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! Local variables
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double precision,allocatable :: ub(:,:,:,:,:,:)
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double precision,allocatable :: ubb(:,:,:,:,:,:)
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! Output variables
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double precision,intent(out) :: EcCCT
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! Memory allocation
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allocate(ub(spin_occ_num,spin_occ_num,spin_occ_num,spin_vir_num,spin_vir_num,spin_vir_num),ubb(spin_occ_num,spin_occ_num,spin_occ_num,spin_vir_num,spin_vir_num,spin_vir_num))
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! Form CCSD(T) quantities
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call form_ub(t1,ub)
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call form_ubb(t2,ubb)
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call form_T(ub,ubb,EcCCT)
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end subroutine CCSDT
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