Input 15-crank_nicolson.02-kick.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run foss_min_autotools: [foss2023b-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618078e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | -1.776356839400250e-15 | PASS |
| Energy [step 5] | -1.042952410766973e+01 | -1.042952410766969e+01 | 1.040000000000000e-13 | -4.085620730620576e-14 | PASS |
| Energy [step 10] | -1.042951819589653e+01 | -1.042951819589651e+01 | 1.040000000000000e-13 | -2.486899575160351e-14 | PASS |
| Energy [step 15] | -1.042951645116278e+01 | -1.042951645116274e+01 | 1.040000000000000e-13 | -3.907985046680551e-14 | PASS |
| Energy [step 20] | -1.042951647298866e+01 | -1.042951647298858e+01 | 1.130000000000000e-13 | -8.526512829121202e-14 | PASS |
| Dipole [step 1] | -1.576976769383353e-15 | 1.780638116610150e-16 | 6.520000000000000e-15 | -1.755040581044368e-15 | PASS |
| Dipole [step 5] | -7.295369687096938e-01 | -7.295369687093400e-01 | 3.930000000000000e-13 | -3.537170556455749e-13 | PASS |
| Dipole [step 10] | -1.339262979001110e+00 | -1.339262979000332e+00 | 8.650000000000001e-13 | -7.780442956573097e-13 | PASS |
| Dipole [step 15] | -1.833828239416945e+00 | -1.833828239416189e+00 | 8.390000000000000e-13 | -7.565059689795817e-13 | PASS |
| Dipole [step 20] | -2.215299445825973e+00 | -2.215299445825728e+00 | 2.800000000000000e-13 | -2.451372438372346e-13 | PASS |