Input 15-electronic_system_restart.02-td_full.inp
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
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] | -2.100218436662527e-15 | -8.908015926463452e-16 | 4.090000000000000e-15 | -1.209416844016181e-15 | PASS |
| Multipoles [step 20] | -1.265509664058025e-01 | -1.265509664058046e-01 | 4.850000000000000e-15 | 2.053912595556540e-15 | PASS |