Input 15-electronic_system_restart.02-td_full.inp
Commits >
Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 >
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 | -2.131628207280301e-14 | PASS |
| Energy [step 20] | -1.060637353666431e+01 | -1.060637353666430e+01 | 1.060000000000000e-13 | -1.243449787580175e-14 | PASS |
| Multipoles [step 0] | 8.745504320728514e-16 | -8.908015926463452e-16 | 4.090000000000000e-15 | 1.765352024719197e-15 | PASS |
| Multipoles [step 20] | -1.265509664058018e-01 | -1.265509664058046e-01 | 4.850000000000000e-15 | 2.831068712794149e-15 | PASS |