Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766761e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | -1.243449787580175e-14 | PASS |
| Energy [step 20] | -1.060637197121568e+01 | -1.060637197121568e+01 | 1.060000000000000e-13 | 1.776356839400250e-15 | PASS |
| Multipoles [step 0] | -4.233139717663842e-16 | 0.000000000000000e+00 | 5.000000000000000e-15 | -4.233139717663842e-16 | PASS |
| Multipoles [step 20] | -1.265533510652017e-01 | -1.265533510652042e-01 | 5.070000000000000e-15 | 2.553512956637860e-15 | PASS |