Input 05-time_propagation.05-td_md.inp

Commits > Commit ad9fcbdd35c8d08e16e213263c476bba0afb770b > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -3.791009280177393e+01 -3.791009280177000e+01 1.900000000000000e-10 -3.929301328753354e-12 PASS
Energy [step 5] -3.791008856892503e+01 -3.791008856893000e+01 1.900000000000000e-10 4.966693722963100e-12 PASS
Energy [step 10] -3.791001520298096e+01 -3.791001520298000e+01 1.900000000000000e-10 -9.592326932761353e-13 PASS
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