Input 02-propagators.02-cnsparskit.inp
Commits >
Commit 18848dd43b1805cec78813204483223eec09e06c >
Run intel_mpi_omp_autotools: [intel2022a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Forces [step 1] | 8.537673799432932e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | -1.754152378907747e-14 | PASS |
| Forces [step 20] | 7.964959635257118e-02 | 7.964959635258606e-02 | 1.730000000000000e-14 | -1.487698852997710e-14 | PASS |
| Energy [step 1] | -1.060686608766762e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -3.552713678800501e-15 | PASS |
| Energy [step 20] | -1.060637261154882e+01 | -1.060637261154880e+01 | 1.060000000000000e-13 | -1.421085471520200e-14 | PASS |
| Multipoles [step 1] | -1.105506311493976e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | -1.693489800296119e-15 | PASS |
| Multipoles [step 20] | -1.265304528942227e-01 | -1.265304528942126e-01 | 1.210000000000000e-14 | -1.004751837285767e-14 | PASS |