Input 15-electronic_system_restart.02-td_full.inp

Commits > Commit f4bc596bdcf3afff33b833944576bfd5457df1bc > Run cuda-serial: [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
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