Input 06-caetrs.04-kick-tp2.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_foss_mpi_autotools: [foss2022a-mpi]
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] | -1.042957396714843e+01 | -1.042957396714843e+01 | 1.040000000000000e-13 | -3.552713678800501e-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 | 1.421085471520200e-14 | PASS |
| Energy [step 20] | -1.042953357117197e+01 | -1.042953357117197e+01 | 1.040000000000000e-13 | 1.776356839400250e-15 | PASS |
| Dipole [step 1] | 1.879536992352697e-15 | 1.494990959640600e-16 | 6.600000000000000e-15 | 1.730037896388638e-15 | PASS |
| Dipole [step 5] | -7.296259873396674e-01 | -7.296259873396693e-01 | 7.300000000000000e-15 | 1.887379141862766e-15 | PASS |
| Dipole [step 10] | -1.339612194748671e+00 | -1.339612194748668e+00 | 1.340000000000000e-14 | -3.330669073875470e-15 | PASS |
| Dipole [step 15] | -1.834332930312637e+00 | -1.834332930312640e+00 | 9.170000000000000e-14 | 3.108624468950438e-15 | PASS |
| Dipole [step 20] | -2.215781015847280e+00 | -2.215781015847290e+00 | 2.220000000000000e-14 | 1.021405182655144e-14 | PASS |