Input 06-caetrs.04-kick-tp2.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618076e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | 1.953992523340276e-14 | PASS |
| Energy [step 5] | -1.042957396714842e+01 | -1.042957396714843e+01 | 1.040000000000000e-13 | 5.329070518200751e-15 | PASS |
| Energy [step 10] | -1.042955407412302e+01 | -1.042955407412301e+01 | 1.040000000000000e-13 | -1.421085471520200e-14 | PASS |
| Energy [step 15] | -1.042954068676078e+01 | -1.042954068676079e+01 | 1.040000000000000e-13 | 1.065814103640150e-14 | PASS |
| Energy [step 20] | -1.042953357117198e+01 | -1.042953357117197e+01 | 1.040000000000000e-13 | -7.105427357601002e-15 | PASS |
| Dipole [step 1] | -1.012965956232424e-15 | 1.494990959640600e-16 | 6.600000000000000e-15 | -1.162465052196484e-15 | PASS |
| Dipole [step 5] | -7.296259873396717e-01 | -7.296259873396693e-01 | 7.300000000000000e-15 | -2.331468351712829e-15 | PASS |
| Dipole [step 10] | -1.339612194748673e+00 | -1.339612194748668e+00 | 1.340000000000000e-14 | -4.884981308350689e-15 | PASS |
| Dipole [step 15] | -1.834332930312639e+00 | -1.834332930312640e+00 | 9.170000000000000e-14 | 1.110223024625157e-15 | PASS |
| Dipole [step 20] | -2.215781015847278e+00 | -2.215781015847290e+00 | 2.220000000000000e-14 | 1.199040866595169e-14 | PASS |