Input 23-go-na2.05-constrains.inp

Commits > Commit 584f61e8603689505e758f366f49c21c2e481def > Run foss-cmake-zen4: [foss2023a-serial, foss-full]

Matches

Name Value Reference Precision Difference Status
Total energy -4.161898800000000e-01 -4.161898800000000e-01 2.080000000000000e-07 0.000000000000000e+00 PASS
Force [1] -8.827298290000000e-04 -8.827298290000000e-04 4.410000000000000e-11 0.000000000000000e+00 PASS
Force [2] -5.033453390000000e-03 -5.033453390000000e-03 2.520000000000000e-10 0.000000000000000e+00 PASS
Geometry [1] 2.798960000000000e-01 2.798960000000000e-01 1.400000000000000e-05 0.000000000000000e+00 PASS
Geometry [2] 1.587532000000000e+00 1.587532000000000e+00 7.940000000000000e-06 -2.220446049250313e-16 PASS
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