Input 15-electronic_system_restart.04-td_restart_part2.inp

Commits > Commit 0fe8dcc2cda723db7bfa614b73e6eb662c8bbe1e > Run foss_cuda_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766757e+01 -1.060686608766760e+01 1.060000000000000e-13 3.197442310920451e-14 PASS
Energy [step 20] -1.060637353666430e+01 -1.060637353666430e+01 1.060000000000000e-13 0.000000000000000e+00 PASS
Multipoles [step 0] 3.956110341662294e-16 -8.908015926463452e-16 4.090000000000000e-15 1.286412626812575e-15 PASS
Multipoles [step 20] -1.265509664058012e-01 -1.265509664058046e-01 4.850000000000000e-15 3.358424649491099e-15 PASS
Compare to other inputs