Input 05-time_propagation.05-td_md.inp

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Run spack_foss-2022a_serial_opt

Matches

Name	Value	Reference	Precision	Difference	Status
Energy [step 1]	-3.791009280177379e+01	-3.791009280177000e+01	1.900000000000000e-10	-3.794298208958935e-12	PASS
Energy [step 5]	-3.791008856892490e+01	-3.791008856893000e+01	1.900000000000000e-10	5.101696842757519e-12	PASS
Energy [step 10]	-3.791001520298113e+01	-3.791001520298000e+01	1.900000000000000e-10	-1.129762949858559e-12	PASS

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