Input 15-electronic_system_restart.02-td_full.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766762e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | -2.309263891220326e-14 | PASS |
| Energy [step 20] | -1.060637353666432e+01 | -1.060637353666430e+01 | 1.060000000000000e-13 | -1.598721155460225e-14 | PASS |
| Multipoles [step 0] | 1.117894839197664e-15 | -8.908015926463452e-16 | 4.090000000000000e-15 | 2.008696431844009e-15 | PASS |
| Multipoles [step 20] | -1.265509664058014e-01 | -1.265509664058046e-01 | 4.850000000000000e-15 | 3.219646771412954e-15 | PASS |