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https://github.com/pfloos/quack
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19 lines
379 B
Fortran
19 lines
379 B
Fortran
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subroutine AOtoMO_transform(nBas,c,A)
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! Perform AO to MO transformation of a matrix A for given coefficients c
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implicit none
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! Input variables
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integer,intent(in) :: nBas
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double precision,intent(in) :: c(nBas,nBas)
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! Output variables
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double precision,intent(inout):: A(nBas,nBas)
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A = matmul(transpose(c),matmul(A,c))
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end subroutine AOtoMO_transform
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