Input 15-electronic_system_restart.02-td_full.inp

Commits > Commit 1d082993d3bad72c6bb5f6456239111dd26ba4bd > Run cuda-mpi: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766761e+01 -1.060686608766760e+01 1.060000000000000e-13 -1.065814103640150e-14 PASS
Energy [step 20] -1.060637353666429e+01 -1.060637353666430e+01 1.060000000000000e-13 5.329070518200751e-15 PASS
Multipoles [step 0] -4.233139717663842e-16 -8.908015926463452e-16 4.090000000000000e-15 4.674876208799610e-16 PASS
Multipoles [step 20] -1.265509664058022e-01 -1.265509664058046e-01 4.850000000000000e-15 2.442490654175344e-15 PASS
Compare to other inputs