Input 15-crank_nicolson.02-kick.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618077e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | 5.329070518200751e-15 | PASS |
| Energy [step 5] | -1.042952410766965e+01 | -1.042952410766969e+01 | 1.040000000000000e-13 | 4.085620730620576e-14 | PASS |
| Energy [step 10] | -1.042951819589648e+01 | -1.042951819589651e+01 | 1.040000000000000e-13 | 2.664535259100376e-14 | PASS |
| Energy [step 15] | -1.042951645116268e+01 | -1.042951645116274e+01 | 1.040000000000000e-13 | 6.039613253960852e-14 | PASS |
| Energy [step 20] | -1.042951647298848e+01 | -1.042951647298858e+01 | 1.130000000000000e-13 | 1.012523398458143e-13 | PASS |
| Dipole [step 1] | -8.881784197001252e-16 | 1.780638116610150e-16 | 6.520000000000000e-15 | -1.066242231361140e-15 | PASS |
| Dipole [step 5] | -7.295369687089848e-01 | -7.295369687093400e-01 | 3.930000000000000e-13 | 3.552713678800501e-13 | PASS |
| Dipole [step 10] | -1.339262978999551e+00 | -1.339262979000332e+00 | 8.650000000000001e-13 | 7.804867863114850e-13 | PASS |
| Dipole [step 15] | -1.833828239415431e+00 | -1.833828239416189e+00 | 8.390000000000000e-13 | 7.582823258189819e-13 | PASS |
| Dipole [step 20] | -2.215299445825476e+00 | -2.215299445825728e+00 | 2.800000000000000e-13 | 2.517985819849855e-13 | PASS |