Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_omp_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766760e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 1.421085471520200e-14 | PASS |
| Energy [step 20] | -1.060637200596971e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | -1.776356839400250e-15 | PASS |
| Multipoles [step 0] | 1.973967864166148e-16 | 1.824331091466839e-16 | 4.490000000000000e-15 | 1.496367726993094e-17 | PASS |
| Multipoles [step 20] | -1.265864295117795e-01 | -1.265864295118192e-01 | 4.360000000000000e-14 | 3.969047313034935e-14 | PASS |
| Forces [step 0] | 8.537673799433598e-02 | 8.537673799433354e-02 | 5.130000000000000e-15 | 2.442490654175344e-15 | PASS |
| Forces [step 20] | 7.967423673806140e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | 3.108624468950438e-14 | PASS |