Input 05-time_propagation.05-td_md.inp

Commits > Commit d6f4833c99197407842d58e82c91c418d3d73b88 > Run spack_foss-2023a_mpi_debug

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -3.791009280177395e+01 -3.791009280177000e+01 1.900000000000000e-10 -3.950617610826157e-12 PASS
Energy [step 5] -3.791008856892505e+01 -3.791008856893000e+01 1.900000000000000e-10 4.945377440890297e-12 PASS
Energy [step 10] -3.791001520298100e+01 -3.791001520298000e+01 1.900000000000000e-10 -1.001865257421741e-12 PASS
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