PTEROSOR/QuantumPackage
10
0
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-23 04:43:45 +01:00
Code Releases Activity

removed

Browse Source
This commit is contained in:
eginer 2022-10-28 13:31:37 +02:00
parent f00c234782
commit 20e46cab61
1 changed files with 0 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

1
src/non_hermit_dav/lapack_diag_non_hermit.irp.f
View File

@ -2530,7 +2530,6 @@ subroutine impose_biorthog_svd_overlap(n, m, overlap, L, R)
threshold = 1.d-6
num_linear_dependencies = 0
do i = 1, m
print*,'D(i) = ',D(i)
if(abs(D(i)) <= threshold) then
D(i) = 0.d0
num_linear_dependencies += 1