Input 05-time_propagation.05-td_md.inp

Commits > Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 > 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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