Adjust tolerance

This commit is contained in:
Matthias Krack 2024-11-14 14:41:03 +01:00
parent db61e8c41f
commit ac413087ac

View file

@ -1,5 +1,5 @@
H2O-hfx-coulomb.inp 1 5.0E-10 -75.96344485612131
H2O-hfx-identity.inp 1 1.0E-10 -76.00818468795198
H2O-hfx-identity.inp 1 2.0E-10 -76.00818468795198
H2O-hfx-periodic-ri-truncated.inp 1 1.0E-11 -66.82684206238447
H2O-hybrid-b3lyp.inp 1 1.0E-12 -76.15902937273455
CH-hfx-ri-mo.inp 1 1.0E-12 -37.92293656310858