Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit 70b0ad3565a7ed52254e6fb5a8a40b027abeb4a7 >
Run foss_omp_autotools: [foss2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766760e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 1.953992523340276e-14 | PASS |
| Energy [step 20] | -1.060637200596971e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | 3.552713678800501e-15 | PASS |
| Multipoles [step 0] | 2.068790451448255e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | 1.480806962646111e-15 | PASS |
| Multipoles [step 20] | -1.265864295117812e-01 | -1.265864295118224e-01 | 6.900000000000000e-14 | 4.116151863797768e-14 | PASS |
| Forces [step 0] | 8.537673799433332e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | -2.220446049250313e-16 | PASS |
| Forces [step 20] | 7.967423673806584e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | 3.552713678800501e-14 | PASS |