Input 06-caetrs.02-kick.inp
Commits >
Commit adf3952efd5c2bdc0cc9389163d26498c92cbe64 >
Run foss_cmake: [foss2022a-mpi, foss-min-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.056293727506792e+01 | -1.056293727506791e+01 | 1.060000000000000e-13 | -1.065814103640150e-14 | PASS |
| Energy [step 5] | -1.040745483159455e+01 | -1.040745483159455e+01 | 1.040000000000000e-13 | -5.329070518200751e-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 | 3.552713678800501e-15 | PASS |
| Energy [step 20] | -1.040741451973633e+01 | -1.040741451973633e+01 | 1.040000000000000e-13 | 0.000000000000000e+00 | PASS |
| Dipole [step 1] | 0.000000000000000e+00 | 1.780638116610150e-16 | 6.600000000000000e-15 | -1.780638116610150e-16 | PASS |
| Dipole [step 5] | -7.295426719525144e-01 | -7.295426719525250e-01 | 3.650000000000000e-14 | 1.054711873393899e-14 | PASS |
| Dipole [step 10] | -1.337803863058618e+00 | -1.337803863058600e+00 | 1.970000000000000e-14 | -1.842970220877760e-14 | PASS |
| Dipole [step 15] | -1.828601499014721e+00 | -1.828601499014715e+00 | 1.830000000000000e-14 | -5.995204332975845e-15 | PASS |
| Dipole [step 20] | -2.205209055720868e+00 | -2.205209055720854e+00 | 2.690000000000000e-14 | -1.376676550535194e-14 | PASS |