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https://github.com/pfloos/quack
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40 lines
1000 B
Fortran
40 lines
1000 B
Fortran
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subroutine unrestricted_hybrid_correlation_individual_energy(DFA,nEns,wEns,nGrid,weight,rhow,drhow,rho,drho,Ec)
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! Compute the hybrid correlation energy for individual states
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implicit none
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include 'parameters.h'
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! Input variables
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integer,intent(in) :: DFA
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integer,intent(in) :: nEns
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double precision,intent(in) :: wEns(nEns)
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integer,intent(in) :: nGrid
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double precision,intent(in) :: weight(nGrid)
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double precision,intent(in) :: rhow(nGrid)
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double precision,intent(in) :: drhow(ncart,nGrid)
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double precision,intent(in) :: rho(nGrid)
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double precision,intent(in) :: drho(ncart,nGrid)
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! Output variables
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double precision :: Ec(nsp)
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! Select correlation functional
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select case (DFA)
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case (1)
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Ec(:) = 0d0
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case default
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call print_warning('!!! Hybrid correlation individual energy not available !!!')
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stop
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end select
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end subroutine unrestricted_hybrid_correlation_individual_energy
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