Input 15-crank_nicolson.02-kick.inp
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run foss_opt_autotools: [foss2023a-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 | -4.440892098500626e-14 | PASS |
| Energy [step 20] | -1.042951647298867e+01 | -1.042951647298858e+01 | 1.130000000000000e-13 | -8.881784197001252e-14 | PASS |
| Dipole [step 1] | -1.648851709465035e-15 | 1.780638116610150e-16 | 6.520000000000000e-15 | -1.826915521126050e-15 | PASS |
| Dipole [step 5] | -7.295369687096940e-01 | -7.295369687093400e-01 | 3.930000000000000e-13 | -3.539391002504999e-13 | PASS |
| Dipole [step 10] | -1.339262979001110e+00 | -1.339262979000332e+00 | 8.650000000000001e-13 | -7.782663402622347e-13 | PASS |
| Dipole [step 15] | -1.833828239416944e+00 | -1.833828239416189e+00 | 8.390000000000000e-13 | -7.549516567451064e-13 | PASS |
| Dipole [step 20] | -2.215299445825972e+00 | -2.215299445825728e+00 | 2.800000000000000e-13 | -2.438049762076844e-13 | PASS |