Input 06-caetrs.02-kick.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.058497392618079e+01 | -1.058497392618078e+01 | 1.060000000000000e-13 | -1.243449787580175e-14 | PASS |
| Energy [step 5] | -1.042957396714843e+01 | -1.042957396714843e+01 | 1.040000000000000e-13 | 0.000000000000000e+00 | PASS |
| Energy [step 10] | -1.042955407412301e+01 | -1.042955407412301e+01 | 1.040000000000000e-13 | -3.552713678800501e-15 | PASS |
| Energy [step 15] | -1.042954068676079e+01 | -1.042954068676079e+01 | 1.040000000000000e-13 | -3.552713678800501e-15 | PASS |
| Energy [step 20] | -1.042953357117196e+01 | -1.042953357117197e+01 | 1.040000000000000e-13 | 1.243449787580175e-14 | PASS |
| Dipole [step 1] | 3.885780586188048e-16 | 1.780638116610150e-16 | 6.600000000000000e-15 | 2.105142469577898e-16 | PASS |
| Dipole [step 5] | -7.296259873396673e-01 | -7.296259873396698e-01 | 7.300000000000000e-15 | 2.442490654175344e-15 | PASS |
| Dipole [step 10] | -1.339612194748664e+00 | -1.339612194748670e+00 | 1.340000000000000e-14 | 6.217248937900877e-15 | PASS |
| Dipole [step 15] | -1.834332930312637e+00 | -1.834332930312640e+00 | 9.170000000000000e-14 | 3.108624468950438e-15 | PASS |
| Dipole [step 20] | -2.215781015847295e+00 | -2.215781015847290e+00 | 2.220000000000000e-14 | -4.884981308350689e-15 | PASS |