Input 15-crank_nicolson.02-kick.inp
Commits >
Commit 57f8ca8d342504024fed98c8f4356f69f5870627 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618078e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | 0.000000000000000e+00 | PASS |
| Energy [step 5] | -1.042952410766964e+01 | -1.042952410766969e+01 | 1.040000000000000e-13 | 4.440892098500626e-14 | PASS |
| Energy [step 10] | -1.042951819589648e+01 | -1.042951819589651e+01 | 1.040000000000000e-13 | 3.375077994860476e-14 | PASS |
| Energy [step 15] | -1.042951645116268e+01 | -1.042951645116274e+01 | 1.040000000000000e-13 | 5.684341886080801e-14 | PASS |
| Energy [step 20] | -1.042951647298848e+01 | -1.042951647298858e+01 | 1.130000000000000e-13 | 9.947598300641403e-14 | PASS |
| Dipole [step 1] | -2.664535259100376e-15 | 1.780638116610150e-16 | 6.520000000000000e-15 | -2.842599070761391e-15 | PASS |
| Dipole [step 5] | -7.295369687089857e-01 | -7.295369687093400e-01 | 3.930000000000000e-13 | 3.543831894603500e-13 | PASS |
| Dipole [step 10] | -1.339262978999554e+00 | -1.339262979000332e+00 | 8.650000000000001e-13 | 7.782663402622347e-13 | PASS |
| Dipole [step 15] | -1.833828239415431e+00 | -1.833828239416189e+00 | 8.390000000000000e-13 | 7.573941473992818e-13 | PASS |
| Dipole [step 20] | -2.215299445825476e+00 | -2.215299445825728e+00 | 2.800000000000000e-13 | 2.517985819849855e-13 | PASS |