Input 15-electronic_system_restart.02-td_full.inp

Commits > Commit 968a3ff7080ffa1f89f08d37efc7416527769dec > 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 3.019806626980426e-14 PASS
Energy [step 20] -1.060637353666430e+01 -1.060637353666430e+01 1.060000000000000e-13 0.000000000000000e+00 PASS
Multipoles [step 0] 2.145211010782036e-15 6.744248104320451e-16 4.500000000000000e-15 1.470786200349991e-15 PASS
Multipoles [step 20] -1.265509664058003e-01 -1.265509664058023e-01 4.920000000000000e-15 2.026157019940911e-15 PASS
Compare to other inputs