Input 02-propagators.02-cnsparskit.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Forces [step 1] | 8.537673799433509e-02 | 8.537673799433354e-02 | 5.130000000000000e-15 | 1.554312234475219e-15 | PASS |
| Forces [step 20] | 7.964959635257518e-02 | 7.964959635257580e-02 | 3.980000000000000e-15 | -6.245004513516506e-16 | PASS |
| Energy [step 1] | -1.060686608766762e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -3.552713678800501e-15 | PASS |
| Energy [step 20] | -1.060637261154882e+01 | -1.060637261154880e+01 | 1.060000000000000e-13 | -1.421085471520200e-14 | PASS |
| Multipoles [step 1] | 1.716021855863170e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | 1.533588746716486e-15 | PASS |
| Multipoles [step 20] | -1.265304528942182e-01 | -1.265304528942171e-01 | 2.110000000000000e-15 | -1.110223024625157e-15 | PASS |