Input 05-time_propagation.05-td_md.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_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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