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https://github.com/pfloos/quack
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21 lines
440 B
Fortran
21 lines
440 B
Fortran
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function electron_number(nGrid,w,rho) result(nEl)
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! Compute the number of electrons via integration of the one-electron density
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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) :: nGrid
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double precision,intent(in) :: w(nGrid)
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double precision,intent(in) :: rho(nGrid)
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! Output variables
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double precision :: nEl
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nEl = dot_product(w,rho)
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end function electron_number
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