Input 02-propagators.02-cnsparskit.inp
Commits >
Commit 69bdc22e524ab1df7701119670aff9b913714e90 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Forces [step 1] | 8.537673799433243e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | -1.110223024625157e-15 | PASS |
| Forces [step 20] | 7.964959635257385e-02 | 7.964959635257580e-02 | 7.040000000000000e-15 | -1.956768080901838e-15 | PASS |
| Energy [step 1] | -1.060686608766761e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 7.105427357601002e-15 | PASS |
| Energy [step 20] | -1.060637261154881e+01 | -1.060637261154880e+01 | 1.060000000000000e-13 | -7.105427357601002e-15 | PASS |
| Multipoles [step 1] | 2.291175062174578e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | 1.703191573372434e-15 | PASS |
| Multipoles [step 20] | -1.265304528942167e-01 | -1.265304528942195e-01 | 6.870000000000000e-15 | 2.775557561562891e-15 | PASS |