Input 02-propagators.02-cnsparskit.inp
Commits >
Commit 18848dd43b1805cec78813204483223eec09e06c >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Forces [step 1] | 8.537673799432843e-02 | 8.537673799434686e-02 | 2.170000000000000e-14 | -1.842970220877760e-14 | PASS |
| Forces [step 20] | 7.964959635257074e-02 | 7.964959635258606e-02 | 1.730000000000000e-14 | -1.532107773982716e-14 | PASS |
| Energy [step 1] | -1.060686608766764e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -1.953992523340276e-14 | PASS |
| Energy [step 20] | -1.060637261154881e+01 | -1.060637261154880e+01 | 1.060000000000000e-13 | -1.065814103640150e-14 | PASS |
| Multipoles [step 1] | 4.969561139553727e-16 | 5.879834888021430e-16 | 4.510000000000000e-15 | -9.102737484677028e-17 | PASS |
| Multipoles [step 20] | -1.265304528942222e-01 | -1.265304528942126e-01 | 1.210000000000000e-14 | -9.603429163007604e-15 | PASS |