Input 15-electronic_system_restart.04-td_restart_part2.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205381e+01 -1.060684240205380e+01 5.300000000000000e-14 -5.329070518200751e-15 PASS
Energy [step 20] -1.060634982716857e+01 -1.060634982716860e+01 5.300000000000000e-13 3.019806626980426e-14 PASS
Multipoles [step 0] 2.111155000816822e-15 6.744248104320451e-16 4.500000000000000e-15 1.436730190384777e-15 PASS
Multipoles [step 20] -1.265513823311240e-01 -1.265513823311230e-01 6.700000000000000e-15 -9.436895709313831e-16 PASS
Compare to other inputs