Input 05-time_propagation.05-td_md.inp

Commits > Commit 0eb882d93dcc47f8554e98f5f256d6c6053dae9c > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -3.791009280177391e+01 -3.791009280177000e+01 1.900000000000000e-10 -3.915090474038152e-12 PASS
Energy [step 5] -3.791008856892502e+01 -3.791008856893000e+01 1.900000000000000e-10 4.980904577678302e-12 PASS
Energy [step 10] -3.791001520298097e+01 -3.791001520298000e+01 1.900000000000000e-10 -9.734435479913373e-13 PASS
Compare to other inputs