Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss_cmake: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766763e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | -2.842170943040401e-14 | PASS |
| Energy [step 20] | -1.060637197121568e+01 | -1.060637197121568e+01 | 1.060000000000000e-13 | -1.776356839400250e-15 | PASS |
| Multipoles [step 0] | 1.062913063229649e-15 | 0.000000000000000e+00 | 5.000000000000000e-15 | 1.062913063229649e-15 | PASS |
| Multipoles [step 20] | -1.265533510652023e-01 | -1.265533510652042e-01 | 5.070000000000000e-15 | 1.942890293094024e-15 | PASS |