Input 05-time_propagation.05-td_md.inp

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -3.791009280177371e+01 -3.791009280177000e+01 1.900000000000000e-10 -3.709033080667723e-12 PASS
Energy [step 5] -3.791008856892481e+01 -3.791008856893000e+01 1.900000000000000e-10 5.186961971048731e-12 PASS
Energy [step 10] -3.791001520298079e+01 -3.791001520298000e+01 1.900000000000000e-10 -7.887024366937112e-13 PASS
Compare to other inputs