Input 05-time_propagation.05-td_md.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_foss-2023a_mpi

Matches

Name	Value	Reference	Precision	Difference	Status
Energy [step 1]	-3.791009280177395e+01	-3.791009280177000e+01	1.900000000000000e-10	-3.950617610826157e-12	PASS
Energy [step 5]	-3.791008856892505e+01	-3.791008856893000e+01	1.900000000000000e-10	4.945377440890297e-12	PASS
Energy [step 10]	-3.791001520298100e+01	-3.791001520298000e+01	1.900000000000000e-10	-1.001865257421741e-12	PASS

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