Input 15-crank_nicolson.02-kick.inp
Commits >
Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 >
Run foss_cmake: [foss2022a-serial, foss-min]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618079e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | -7.105427357601002e-15 | PASS |
| Energy [step 5] | -1.042952410766972e+01 | -1.042952410766969e+01 | 1.040000000000000e-13 | -3.552713678800501e-14 | PASS |
| Energy [step 10] | -1.042951819589654e+01 | -1.042951819589651e+01 | 1.040000000000000e-13 | -2.664535259100376e-14 | PASS |
| Energy [step 15] | -1.042951645116278e+01 | -1.042951645116274e+01 | 1.040000000000000e-13 | -4.085620730620576e-14 | PASS |
| Energy [step 20] | -1.042951647298867e+01 | -1.042951647298858e+01 | 1.130000000000000e-13 | -8.881784197001252e-14 | PASS |
| Dipole [step 1] | -1.596740196118350e-15 | 1.780638116610150e-16 | 6.520000000000000e-15 | -1.774804007779365e-15 | PASS |
| Dipole [step 5] | -7.295369687096932e-01 | -7.295369687093400e-01 | 3.930000000000000e-13 | -3.531619441332623e-13 | PASS |
| Dipole [step 10] | -1.339262979001109e+00 | -1.339262979000332e+00 | 8.650000000000001e-13 | -7.769340726326845e-13 | PASS |
| Dipole [step 15] | -1.833828239416945e+00 | -1.833828239416189e+00 | 8.390000000000000e-13 | -7.560618797697316e-13 | PASS |
| Dipole [step 20] | -2.215299445825972e+00 | -2.215299445825728e+00 | 2.800000000000000e-13 | -2.442490654175344e-13 | PASS |