Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766763e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | -3.197442310920451e-14 | PASS |
| Energy [step 20] | -1.060637197121570e+01 | -1.060637197121568e+01 | 1.060000000000000e-13 | -1.598721155460225e-14 | PASS |
| Multipoles [step 0] | -4.844643973099180e-16 | 0.000000000000000e+00 | 5.000000000000000e-15 | -4.844643973099180e-16 | PASS |
| Multipoles [step 20] | -1.265533510652020e-01 | -1.265533510652042e-01 | 5.070000000000000e-15 | 2.220446049250313e-15 | PASS |