Input 06-caetrs.02-kick.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618076e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | 1.598721155460225e-14 | PASS |
| Energy [step 5] | -1.042957396714843e+01 | -1.042957396714843e+01 | 1.040000000000000e-13 | 1.776356839400250e-15 | PASS |
| Energy [step 10] | -1.042955407412301e+01 | -1.042955407412301e+01 | 1.040000000000000e-13 | 1.776356839400250e-15 | PASS |
| Energy [step 15] | -1.042954068676079e+01 | -1.042954068676079e+01 | 1.040000000000000e-13 | 0.000000000000000e+00 | PASS |
| Energy [step 20] | -1.042953357117199e+01 | -1.042953357117197e+01 | 1.040000000000000e-13 | -1.598721155460225e-14 | PASS |
| Dipole [step 1] | 3.431364933403729e-15 | 1.780638116610150e-16 | 6.600000000000000e-15 | 3.253301121742714e-15 | PASS |
| Dipole [step 5] | -7.296259873396654e-01 | -7.296259873396698e-01 | 7.300000000000000e-15 | 4.329869796038111e-15 | PASS |
| Dipole [step 10] | -1.339612194748670e+00 | -1.339612194748670e+00 | 1.340000000000000e-14 | -2.220446049250313e-16 | PASS |
| Dipole [step 15] | -1.834332930312635e+00 | -1.834332930312640e+00 | 9.170000000000000e-14 | 5.329070518200751e-15 | PASS |
| Dipole [step 20] | -2.215781015847277e+00 | -2.215781015847290e+00 | 2.220000000000000e-14 | 1.243449787580175e-14 | PASS |