Input 15-crank_nicolson.02-kick.inp
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618078e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | -3.552713678800501e-15 | PASS |
| Energy [step 5] | -1.042952410766965e+01 | -1.042952410766969e+01 | 1.040000000000000e-13 | 4.263256414560601e-14 | PASS |
| Energy [step 10] | -1.042951819589648e+01 | -1.042951819589651e+01 | 1.040000000000000e-13 | 2.664535259100376e-14 | PASS |
| Energy [step 15] | -1.042951645116269e+01 | -1.042951645116274e+01 | 1.040000000000000e-13 | 5.506706202140776e-14 | PASS |
| Energy [step 20] | -1.042951647298849e+01 | -1.042951647298858e+01 | 1.130000000000000e-13 | 9.414691248821327e-14 | PASS |
| Dipole [step 1] | -1.845745778439323e-15 | 1.780638116610150e-16 | 6.520000000000000e-15 | -2.023809590100338e-15 | PASS |
| Dipole [step 5] | -7.295369687089893e-01 | -7.295369687093400e-01 | 3.930000000000000e-13 | 3.507194534790870e-13 | PASS |
| Dipole [step 10] | -1.339262978999551e+00 | -1.339262979000332e+00 | 8.650000000000001e-13 | 7.804867863114850e-13 | PASS |
| Dipole [step 15] | -1.833828239415430e+00 | -1.833828239416189e+00 | 8.390000000000000e-13 | 7.589484596337570e-13 | PASS |
| Dipole [step 20] | -2.215299445825477e+00 | -2.215299445825728e+00 | 2.800000000000000e-13 | 2.513544927751354e-13 | PASS |