Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit 008ad309696fa333cadd72656d8ad6622d802226 >
Run foss_cmake: [foss2022a-serial, foss-full]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766761e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 8.881784197001252e-15 | PASS |
| Energy [step 20] | -1.060637200596972e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | -1.598721155460225e-14 | PASS |
| Multipoles [step 0] | -7.786503985530469e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -1.366633887355190e-15 | PASS |
| Multipoles [step 20] | -1.265864295118231e-01 | -1.265864295118344e-01 | 7.840000000000000e-14 | 1.129651927556097e-14 | PASS |
| Forces [step 0] | 8.537673799433065e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | -1.620925615952729e-14 | PASS |
| Forces [step 20] | 7.967423673798901e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | -4.130029651605582e-14 | PASS |