PTEROSOR/QuantumPackage
10
0
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-22 20:34:58 +01:00
Code Releases Activity

Remove possible division by zero

Browse Source
This commit is contained in:
Anthony Scemama 2020-12-08 22:05:23 +01:00
parent 008d1b9e8f
commit b89f53f40b
1 changed files with 1 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

1
src/utils/linear_algebra.irp.f
View File

@ -1550,6 +1550,7 @@ subroutine nullify_small_elements(m,n,A,LDA,thresh)
amax = max(dabs(A(i,j)), amax)
enddo
enddo
if (amax == 0.d0) return
amax = 1.d0/amax
! Remove tiny elements