Skip to content

Commit

Permalink
RI HFX: Adjust threshold for H2O-hfx-identity.inp
Browse files Browse the repository at this point in the history
this is justified by the observation that identity metric is much less
stable than (truncated) Coulomb metric
  • Loading branch information
pseewald committed Mar 10, 2020
1 parent 6f13f0d commit 08691cf
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion tests/QS/regtest-hfx-ri/TEST_FILES
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
H2O-hfx-coulomb.inp 1 1.0E-12 -75.93799524358548
H2O-hfx-identity.inp 1 1.0E-12 -75.85187159469186
H2O-hfx-identity.inp 1 1.0E-10 -75.85187159469186
H2O-hfx-periodic-ri-truncated.inp 1 1.0E-12 -66.83226303451153
H2O-hybrid-b3lyp.inp 1 1.0E-12 -76.15358900494054
CH-hfx-ri-mo.inp 1 1.0E-12 -37.91967383839648
Expand Down

0 comments on commit 08691cf

Please sign in to comment.