Input 06-caetrs.03-kick-tp1.inp
Commits >
Commit 91746b7e50d5ea0025b393f8233f16beebc5d069 >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.056293727506791e+01 | -1.056293727506791e+01 | 1.060000000000000e-13 | -5.329070518200751e-15 | PASS |
| Energy [step 5] | -1.040745483159455e+01 | -1.040745483159455e+01 | 1.040000000000000e-13 | 3.552713678800501e-15 | PASS |
| Energy [step 10] | -1.040743417507013e+01 | -1.040743417507012e+01 | 1.040000000000000e-13 | -1.065814103640150e-14 | PASS |
| Energy [step 15] | -1.040742113639586e+01 | -1.040742113639586e+01 | 1.040000000000000e-13 | 1.776356839400250e-15 | PASS |
| Energy [step 20] | -1.040741451973633e+01 | -1.040741451973633e+01 | 1.040000000000000e-13 | 0.000000000000000e+00 | PASS |
| Dipole [step 1] | 5.820031143220078e-16 | 1.780638116610150e-16 | 6.600000000000000e-15 | 4.039393026609928e-16 | PASS |
| Dipole [step 5] | -7.295426719525292e-01 | -7.295426719525250e-01 | 3.650000000000000e-14 | -4.218847493575595e-15 | PASS |
| Dipole [step 10] | -1.337803863058590e+00 | -1.337803863058600e+00 | 1.970000000000000e-14 | 1.043609643147647e-14 | PASS |
| Dipole [step 15] | -1.828601499014711e+00 | -1.828601499014715e+00 | 1.830000000000000e-14 | 3.996802888650564e-15 | PASS |
| Dipole [step 20] | -2.205209055720848e+00 | -2.205209055720854e+00 | 2.690000000000000e-14 | 5.773159728050814e-15 | PASS |