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

Commits > Commit 3874475d54e6d4931162c1a62f5667add8f8f561 > Run foss_mpi_autotools: [foss2022a-mpi]

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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