Input 06-caetrs.04-kick-tp2.inp
Commits >
Commit 6099f031302cffa2938f492784ba2f7b55faffa3 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618080e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | -1.598721155460225e-14 | PASS |
| Energy [step 5] | -1.042957396714844e+01 | -1.042957396714843e+01 | 1.040000000000000e-13 | -8.881784197001252e-15 | PASS |
| Energy [step 10] | -1.042955407412302e+01 | -1.042955407412301e+01 | 1.040000000000000e-13 | -8.881784197001252e-15 | PASS |
| Energy [step 15] | -1.042954068676080e+01 | -1.042954068676079e+01 | 1.040000000000000e-13 | -8.881784197001252e-15 | PASS |
| Energy [step 20] | -1.042953357117197e+01 | -1.042953357117197e+01 | 1.040000000000000e-13 | -3.552713678800501e-15 | PASS |
| Dipole [step 1] | 4.367927894377565e-15 | 1.494990959640600e-16 | 6.600000000000000e-15 | 4.218428798413506e-15 | PASS |
| Dipole [step 5] | -7.296259873396628e-01 | -7.296259873396693e-01 | 7.300000000000000e-15 | 6.550315845288424e-15 | PASS |
| Dipole [step 10] | -1.339612194748659e+00 | -1.339612194748668e+00 | 1.340000000000000e-14 | 9.325873406851315e-15 | PASS |
| Dipole [step 15] | -1.834332930312640e+00 | -1.834332930312640e+00 | 9.170000000000000e-14 | 0.000000000000000e+00 | PASS |
| Dipole [step 20] | -2.215781015847293e+00 | -2.215781015847290e+00 | 2.220000000000000e-14 | -3.108624468950438e-15 | PASS |