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corrected a bug in qp2/plugins/local/tuto_plugins/tuto_I/traces_one_e.irp.f

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eginer 2025-03-12 12:29:29 +01:00
parent ffe7a8485f
commit 2037939abb
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plugins/local/tuto_plugins/tuto_I/traces_one_e.irp.f
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@ -30,6 +30,7 @@ BEGIN_PROVIDER [ double precision, trace_ao_one_e_ints]
! have the same number of functions
END_DOC
integer :: i,j
double precision :: accu
double precision, allocatable :: inv_overlap_times_integrals(:,:) ! = h S^{-1}
allocate(inv_overlap_times_integrals(ao_num,ao_num))
! routine that computes the product of two matrices, you can check it with