Input 08-coulomb_force.01-classical_helium.inp
Commits >
Commit e7de9bbf531ff65a0d18444fdbe173713a455724 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Nucleus pos x (t=10) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Nucleus pos y (t=10) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Nucleus pos z (t=10) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Nucleus vel x (t=10) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Nucleus vel y (t=10) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Nucleus vel z (t=10) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Electron 1 pos x (t=10) | 7.979115367295158e-01 | 7.979131499959000e-01 | 1.000000000000000e-04 | -1.613266384259404e-06 | PASS |
| Electron 1 pos y (t=10) | 8.580963412961821e-01 | 8.580941528529999e-01 | 1.000000000000000e-04 | 2.188443182116195e-06 | PASS |
| Electron 1 pos z (t=10) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Electron 1 vel x (t=10) | 8.543811727503186e-01 | 8.543794801182000e-01 | 1.000000000000000e-04 | 1.692632118577286e-06 | PASS |
| Electron 1 vel y (t=10) | -9.610822832989886e-01 | -9.610845037419000e-01 | 1.000000000000000e-04 | 2.220442911426979e-06 | PASS |
| Electron 1 vel z (t=10) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Electron 2 pos x (t=10) | -7.979115367295158e-01 | -7.979131499959000e-01 | 1.000000000000000e-04 | 1.613266384259404e-06 | PASS |
| Electron 2 pos y (t=10) | -8.580963412961821e-01 | -8.580941528529999e-01 | 1.000000000000000e-04 | -2.188443182116195e-06 | PASS |
| Electron 2 pos z (t=10) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Electron 2 vel x (t=10) | -8.543811727503186e-01 | -8.543794801182000e-01 | 1.000000000000000e-04 | -1.692632118577286e-06 | PASS |
| Electron 2 vel y (t=10) | 9.610822832989886e-01 | 9.610845037419000e-01 | 1.000000000000000e-04 | -2.220442911426979e-06 | PASS |
| Electron 2 vel z (t=10) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Nucleus Total energy (t=10) | -1.706852404753428e+00 | -1.706852404753000e+00 | 1.000000000000000e-04 | -4.283240429003854e-13 | PASS |
| Nucleus Kinetic energy (t=10) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Nucleus Potential energy (t=10) | -1.706852404753428e+00 | -1.706852404753000e+00 | 1.000000000000000e-04 | -4.283240429003854e-13 | PASS |
| Nucleus Internal energy (t=10) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Electron 1 Total energy (t=10) | 1.867535200281679e-01 | 1.867535200282000e-01 | 1.000000000000000e-04 | -3.208544541166702e-14 | PASS |
| Electron 1 Kinetic energy (t=10) | 8.268231718107035e-01 | 8.268231718107000e-01 | 1.000000000000000e-04 | 3.552713678800501e-15 | PASS |
| Electron 1 Potential energy (t=10) | -6.400696517825356e-01 | -6.400696517825000e-01 | 1.000000000000000e-04 | -3.563815909046752e-14 | PASS |
| Electron 1 Internal energy (t=10) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Electron 2 Total energy (t=10) | 1.867535200281679e-01 | 1.867535200282000e-01 | 1.000000000000000e-04 | -3.208544541166702e-14 | PASS |
| Electron 2 Kinetic energy (t=10) | 8.268231718107035e-01 | 8.268231718107000e-01 | 1.000000000000000e-04 | 3.552713678800501e-15 | PASS |
| Electron 2 Potential energy (t=10) | -6.400696517825356e-01 | -6.400696517825000e-01 | 1.000000000000000e-04 | -3.563815909046752e-14 | PASS |
| Electron 2 Internal energy (t=10) | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |