Input 15-electronic_system_restart.02-td_full.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766762e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | -1.776356839400250e-14 | PASS |
| Energy [step 20] | -1.060637353666430e+01 | -1.060637353666430e+01 | 1.060000000000000e-13 | -1.776356839400250e-15 | PASS |
| Multipoles [step 0] | -3.625459307765588e-15 | 6.744248104320451e-16 | 4.500000000000000e-15 | -4.299884118197633e-15 | PASS |
| Multipoles [step 20] | -1.265509664058039e-01 | -1.265509664058023e-01 | 2.600000000000000e-15 | -1.637578961322106e-15 | PASS |