Input 02-propagators.02-cnsparskit.inp
Commits >
Commit 008ad309696fa333cadd72656d8ad6622d802226 >
Run foss_cmake: [foss2022a-mpi, foss-full-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] | 7.964959635257163e-02 | 7.964959635258606e-02 | 1.730000000000000e-14 | -1.443289932012704e-14 | PASS |
| Energy [step 1] | -1.060686608766763e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -7.105427357601002e-15 | PASS |
| Energy [step 20] | -1.060637261154881e+01 | -1.060637261154880e+01 | 1.060000000000000e-13 | -8.881784197001252e-15 | PASS |
| Multipoles [step 1] | 1.824339507586203e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | 1.236356018784060e-15 | PASS |
| Multipoles [step 20] | -1.265304528942224e-01 | -1.265304528942126e-01 | 1.210000000000000e-14 | -9.742207041085749e-15 | PASS |