Input 01-propagators.04-etrs_lanczos.inp
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run cuda: [foss2022a-cuda-mpi, ci-foss-full-cuda]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 0] | -1.060686608766758e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 3.552713678800501e-14 | PASS |
| Energy [step 20] | -1.060637200596970e+01 | -1.060637200596971e+01 | 1.060000000000000e-13 | 7.105427357601002e-15 | PASS |
| Multipoles [step 0] | 3.927104003315432e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -1.952730884705998e-16 | PASS |
| Multipoles [step 20] | -1.265864295118417e-01 | -1.265864295118224e-01 | 6.900000000000000e-14 | -1.934563620409335e-14 | PASS |
| Forces [step 0] | 8.537673799433954e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 5.995204332975845e-15 | PASS |
| Forces [step 20] | 7.967423673804674e-02 | 7.967423673803031e-02 | 4.640000000000000e-14 | 1.643130076445232e-14 | PASS |