Input 06-caetrs.02-kick.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.056293727506792e+01 | -1.056293727506791e+01 | 1.060000000000000e-13 | -1.065814103640150e-14 | PASS |
| Energy [step 5] | -1.040745483159454e+01 | -1.040745483159455e+01 | 1.040000000000000e-13 | 5.329070518200751e-15 | PASS |
| Energy [step 10] | -1.040743417507013e+01 | -1.040743417507012e+01 | 1.040000000000000e-13 | -1.243449787580175e-14 | PASS |
| Energy [step 15] | -1.040742113639586e+01 | -1.040742113639586e+01 | 1.040000000000000e-13 | 1.776356839400250e-15 | PASS |
| Energy [step 20] | -1.040741451973633e+01 | -1.040741451973633e+01 | 1.040000000000000e-13 | -1.776356839400250e-15 | PASS |
| Dipole [step 1] | 6.124895241595846e-16 | 1.780638116610150e-16 | 6.600000000000000e-15 | 4.344257124985696e-16 | PASS |
| Dipole [step 5] | -7.295426719525294e-01 | -7.295426719525250e-01 | 3.650000000000000e-14 | -4.440892098500626e-15 | PASS |
| Dipole [step 10] | -1.337803863058589e+00 | -1.337803863058600e+00 | 1.970000000000000e-14 | 1.132427485117660e-14 | PASS |
| Dipole [step 15] | -1.828601499014709e+00 | -1.828601499014715e+00 | 1.830000000000000e-14 | 5.551115123125783e-15 | PASS |
| Dipole [step 20] | -2.205209055720836e+00 | -2.205209055720854e+00 | 2.210000000000000e-14 | 1.776356839400250e-14 | PASS |