Input 16-sparskit.02-kick.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_opt_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618078e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | -1.776356839400250e-15 | PASS |
| Energy [step 5] | -1.042952412811268e+01 | -1.042952412811269e+01 | 1.040000000000000e-13 | 7.105427357601002e-15 | PASS |
| Energy [step 10] | -1.042951822881429e+01 | -1.042951822881430e+01 | 1.040000000000000e-13 | 5.329070518200751e-15 | PASS |
| Energy [step 15] | -1.042951650355472e+01 | -1.042951650355473e+01 | 1.040000000000000e-13 | 5.329070518200751e-15 | PASS |
| Energy [step 20] | -1.042951654541481e+01 | -1.042951654541481e+01 | 1.040000000000000e-13 | 1.776356839400250e-15 | PASS |
| Dipole [step 1] | -1.648851709465035e-15 | -4.333620525691201e-16 | 7.190000000000000e-15 | -1.215489656895915e-15 | PASS |
| Dipole [step 5] | -7.295369601119581e-01 | -7.295369601119552e-01 | 7.300000000000000e-15 | -2.886579864025407e-15 | PASS |
| Dipole [step 10] | -1.339262937921843e+00 | -1.339262937921843e+00 | 1.340000000000000e-14 | 2.220446049250313e-16 | PASS |
| Dipole [step 15] | -1.833828192687679e+00 | -1.833828192687674e+00 | 1.830000000000000e-14 | -5.107025913275720e-15 | PASS |
| Dipole [step 20] | -2.215299399796876e+00 | -2.215299399796875e+00 | 2.220000000000000e-14 | -1.332267629550188e-15 | PASS |