Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run intel_mpi_autotools: [intel2023a-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] | -1.060637197121569e+01 | -1.060637197121568e+01 | 1.060000000000000e-13 | -1.243449787580175e-14 | PASS |
| Multipoles [step 0] | 2.566544633070267e-15 | 0.000000000000000e+00 | 5.000000000000000e-15 | 2.566544633070267e-15 | PASS |
| Multipoles [step 20] | -1.265533510651990e-01 | -1.265533510652018e-01 | 3.540000000000000e-15 | 2.775557561562891e-15 | PASS |