Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit c335ce26b11dabfe3619506d15cfc1285f92daaf >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766763e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -1.421085471520200e-14 | PASS |
| Energy [step 20] | -1.060637200596971e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | -5.329070518200751e-15 | PASS |
| Multipoles [step 0] | 1.508198412350243e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | 9.202149235481000e-16 | PASS |
| Multipoles [step 20] | -1.265864295118775e-01 | -1.265864295118224e-01 | 6.900000000000000e-14 | -5.509481759702339e-14 | PASS |
| Forces [step 0] | 8.537673799433332e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | -2.220446049250313e-16 | PASS |
| Forces [step 20] | 7.967423673801388e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | -1.643130076445232e-14 | PASS |