Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit 1bf2bc61d0085049d6bd7294e2825d85d95584e0 >
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 | -3.019806626980426e-14 | PASS |
| Energy [step 20] | -1.060637197121569e+01 | -1.060637197121568e+01 | 1.060000000000000e-13 | -8.881784197001252e-15 | PASS |
| Multipoles [step 0] | -7.455686458837652e-16 | 0.000000000000000e+00 | 5.000000000000000e-15 | -7.455686458837652e-16 | PASS |
| Multipoles [step 20] | -1.265533510652011e-01 | -1.265533510652042e-01 | 5.070000000000000e-15 | 3.108624468950438e-15 | PASS |