Input 02-propagators.02-cnsparskit.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_omp_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Forces [step 1] | 8.537673799433598e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 2.442490654175344e-15 | PASS |
| Forces [step 20] | 7.964959635257385e-02 | 7.964959635257580e-02 | 7.040000000000000e-15 | -1.956768080901838e-15 | PASS |
| Energy [step 1] | -1.060686608766760e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 1.421085471520200e-14 | PASS |
| Energy [step 20] | -1.060637261154881e+01 | -1.060637261154880e+01 | 1.060000000000000e-13 | -1.243449787580175e-14 | PASS |
| Multipoles [step 1] | 1.973967864166148e-16 | 1.824331091466839e-16 | 4.490000000000000e-15 | 1.496367726993094e-17 | PASS |
| Multipoles [step 20] | -1.265304528942186e-01 | -1.265304528942171e-01 | 6.810000000000000e-15 | -1.498801083243961e-15 | PASS |