Input 05-time_propagation.05-td_md.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name	Value	Reference	Precision	Difference	Status
Energy [step 1]	-3.791009280177390e+01	-3.791009280177000e+01	1.900000000000000e-10	-3.900879619322950e-12	PASS
Energy [step 5]	-3.791008856892500e+01	-3.791008856893000e+01	1.900000000000000e-10	4.995115432393504e-12	PASS
Energy [step 10]	-3.791001520298097e+01	-3.791001520298000e+01	1.900000000000000e-10	-9.734435479913373e-13	PASS

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