Input 05-time_propagation.05-td_md.inp

Commits > Commit 1d082993d3bad72c6bb5f6456239111dd26ba4bd > Run cuda-mpi: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -3.791009280177393e+01 -3.791009280177000e+01 1.900000000000000e-10 -3.936406756110955e-12 PASS
Energy [step 5] -3.791008856892504e+01 -3.791008856893000e+01 1.900000000000000e-10 4.959588295605499e-12 PASS
Energy [step 10] -3.791001520298096e+01 -3.791001520298000e+01 1.900000000000000e-10 -9.663381206337363e-13 PASS
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