Input 05-time_propagation.05-td_md.inp

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Run spack_foss-2023a_mpi_opt

Matches

Name	Value	Reference	Precision	Difference	Status
Energy [step 1]	-3.791009280177394e+01	-3.791009280177000e+01	1.900000000000000e-10	-3.943512183468556e-12	PASS
Energy [step 5]	-3.791008856892505e+01	-3.791008856893000e+01	1.900000000000000e-10	4.952482868247898e-12	PASS
Energy [step 10]	-3.791001520298096e+01	-3.791001520298000e+01	1.900000000000000e-10	-9.663381206337363e-13	PASS

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