Input 05-time_propagation.05-td_md.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > 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
Compare to other inputs