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

Commits > Commit bb161c2d0107cec853e686df3a469ebc444968d7 > Run foss_ppc_autotools: [foss2022a-serial]

Matches

Name Value Reference Precision Difference Status
Total energy -4.160863400000000e-01 -4.160863100000000e-01 2.080000000000000e-07 -2.999999998420932e-08 PASS
Force [1] -9.970487570000000e-04 -9.970489640000000e-04 2.280000000000000e-10 2.070000000402306e-10 PASS
Force [2] -5.145117180000000e-03 -5.145109790000000e-03 8.130000000000001e-09 -7.390000000828678e-09 PASS
Geometry [1] 3.094020000000000e-01 3.094020000000000e-01 1.550000000000000e-05 0.000000000000000e+00 PASS
Geometry [2] 1.587532000000000e+00 1.587532000000000e+00 7.940000000000000e-06 -2.220446049250313e-16 PASS
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