Input 12-electronic_subsystem_propagators.03-aetrs.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766762e+01 | -1.060686608766760e+01 | 1.060000000000000e-13 | -2.309263891220326e-14 | PASS |
| Energy [step 20] | -1.060637197121569e+01 | -1.060637197121568e+01 | 1.060000000000000e-13 | -8.881784197001252e-15 | PASS |
| Multipoles [step 0] | -1.465696826603337e-15 | 0.000000000000000e+00 | 5.000000000000000e-15 | -1.465696826603337e-15 | PASS |
| Multipoles [step 20] | -1.265533510652032e-01 | -1.265533510652018e-01 | 3.540000000000000e-15 | -1.360023205165817e-15 | PASS |