Adjust tolerances

This commit is contained in:
Frederick Stein 2022-03-04 11:44:56 +01:00 committed by Frederick Stein
parent 2e336d1c49
commit 98ecb99abb
3 changed files with 3 additions and 3 deletions

View file

@ -8,5 +8,5 @@ h2o_polar.inp 87 1e-05
h2o_pdip.inp 86 1e-05 0.961018561809E+00
h2o_periodic.inp 87 1e-05 0.139741440657E+02
h2o_gga.inp 87 1e-05 0.165143521103E+02
h2o_gapw.inp 87 1e-05 0.170220498303E+02
h2o_gapw.inp 87 4e-04 0.170220498303E+02
#EOF

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@ -1,3 +1,3 @@
H2O_br89_mp2.inp 11 4e-09 -17.152576825233368
CH_br89_mp2.inp 11 4e-09 -6.993666776513744
CH_br89_mp2.inp 11 3e-08 -6.993666776513744
#EOF

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@ -1,3 +1,3 @@
H2O_tpss_mp2.inp 11 4e-09 -17.159902703207120
CH_tpss_mp2.inp 11 4e-09 -7.008714749840174
CH_tpss_mp2.inp 11 4e-08 -7.008714749840174
#EOF