Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss-cmake: [foss2022a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766763e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | -2.664535259100376e-14 | PASS |
| Energy [step 20] | -1.060637197121569e+01 | -1.060637197121568e+01 | 1.060000000000000e-13 | -8.881784197001252e-15 | PASS |
| Multipoles [step 0] | -2.703875026709244e-15 | 0.000000000000000e+00 | 5.000000000000000e-15 | -2.703875026709244e-15 | PASS |
| Multipoles [step 20] | -1.265533510652029e-01 | -1.265533510652018e-01 | 3.540000000000000e-15 | -1.082467449009528e-15 | PASS |