Input 15-electronic_system_restart.02-td_full.inp

Commits > Commit 85779d3dd9ec6e18544835020e079bae8c405b87 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205380e+01 -1.060684240205380e+01 5.300000000000000e-14 0.000000000000000e+00 PASS
Energy [step 20] -1.060634982716855e+01 -1.060634982716860e+01 5.300000000000000e-13 4.973799150320701e-14 PASS
Multipoles [step 0] 2.517952521290633e-15 6.744248104320451e-16 4.500000000000000e-15 1.843527710858587e-15 PASS
Multipoles [step 20] -1.265513823311226e-01 -1.265513823311230e-01 6.700000000000000e-15 3.885780586188048e-16 PASS
Compare to other inputs