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eginer 2022-10-28 13:31:37 +02:00
parent f00c234782
commit 20e46cab61
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src/non_hermit_dav/lapack_diag_non_hermit.irp.f
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@ -2530,7 +2530,6 @@ subroutine impose_biorthog_svd_overlap(n, m, overlap, L, R)
threshold = 1.d-6 threshold = 1.d-6
num_linear_dependencies = 0 num_linear_dependencies = 0
do i = 1, m do i = 1, m
print*,'D(i) = ',D(i)
if(abs(D(i)) <= threshold) then if(abs(D(i)) <= threshold) then
D(i) = 0.d0 D(i) = 0.d0
num_linear_dependencies += 1 num_linear_dependencies += 1