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mirror of https://github.com/TREX-CoE/qmckl.git synced 2024-07-17 16:33:59 +02:00

Precision in tests

This commit is contained in:
Anthony Scemama 2020-10-26 19:41:07 +01:00
parent a20394f636
commit 1a16defe35

View File

@ -217,7 +217,7 @@ integer(c_int32_t) function test_qmckl_distance_sq(context) bind(C)
x = (A(i,1)-B(j,1))**2 + &
(A(i,2)-B(j,2))**2 + &
(A(i,3)-B(j,3))**2
if ( dabs(1.d0 - C(i,j)/x) > 1.d-12 ) return
if ( dabs(1.d0 - C(i,j)/x) > 1.d-14 ) return
end do
end do
test_qmckl_distance_sq = 0