Input 06-caetrs.04-kick-tp2.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_omp_autotools: [intel2022a-serial]
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] | -1.042957396714844e+01 | -1.042957396714843e+01 | 1.040000000000000e-13 | -7.105427357601002e-15 | PASS |
| Energy [step 10] | -1.042955407412303e+01 | -1.042955407412301e+01 | 1.040000000000000e-13 | -1.953992523340276e-14 | 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] | -3.513985977199319e-16 | 1.494990959640600e-16 | 6.600000000000000e-15 | -5.008976936839919e-16 | PASS |
| Dipole [step 5] | -7.296259873396671e-01 | -7.296259873396693e-01 | 7.300000000000000e-15 | 2.220446049250313e-15 | PASS |
| Dipole [step 10] | -1.339612194748663e+00 | -1.339612194748668e+00 | 1.340000000000000e-14 | 5.551115123125783e-15 | PASS |
| Dipole [step 15] | -1.834332930312643e+00 | -1.834332930312640e+00 | 9.170000000000000e-14 | -3.108624468950438e-15 | PASS |
| Dipole [step 20] | -2.215781015847297e+00 | -2.215781015847290e+00 | 2.220000000000000e-14 | -7.105427357601002e-15 | PASS |