Input 06-caetrs.02-kick.inp
Commits >
Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 >
Run foss_mpi_min_autotools: [foss2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618079e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | -8.881784197001252e-15 | PASS |
| Energy [step 5] | -1.042957396714844e+01 | -1.042957396714843e+01 | 1.040000000000000e-13 | -5.329070518200751e-15 | PASS |
| Energy [step 10] | -1.042955407412301e+01 | -1.042955407412301e+01 | 1.040000000000000e-13 | -3.552713678800501e-15 | PASS |
| Energy [step 15] | -1.042954068676079e+01 | -1.042954068676079e+01 | 1.040000000000000e-13 | -3.552713678800501e-15 | PASS |
| Energy [step 20] | -1.042953357117197e+01 | -1.042953357117197e+01 | 1.040000000000000e-13 | 1.776356839400250e-15 | PASS |
| Dipole [step 1] | 1.110223024625157e-15 | 1.780638116610150e-16 | 6.600000000000000e-15 | 9.321592129641416e-16 | PASS |
| Dipole [step 5] | -7.296259873396646e-01 | -7.296259873396698e-01 | 7.300000000000000e-15 | 5.218048215738236e-15 | PASS |
| Dipole [step 10] | -1.339612194748666e+00 | -1.339612194748670e+00 | 1.340000000000000e-14 | 3.774758283725532e-15 | PASS |
| Dipole [step 15] | -1.834332930312638e+00 | -1.834332930312640e+00 | 9.170000000000000e-14 | 1.998401444325282e-15 | PASS |
| Dipole [step 20] | -2.215781015847294e+00 | -2.215781015847290e+00 | 2.220000000000000e-14 | -3.996802888650564e-15 | PASS |