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20 lines
413 B
Fortran
20 lines
413 B
Fortran
subroutine AOtoMO_transform(nBas,c,A,B)
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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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double precision,intent(in) :: A(nBas,nBas)
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! Output variables
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double precision,intent(out) :: B(nBas,nBas)
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B = matmul(transpose(c),matmul(A,c))
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end subroutine
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