Input 01-propagators.05-etrs_chebyshev.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run intel_omp_autotools: [intel2022a-serial]
Matches
Name | Value | Reference | Precision | Difference | Status |
Energy [step 0] | -1.060686608766760e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 1.598721155460225e-14 | PASS |
Energy [step 20] | -1.059306110576121e+01 | -1.059306110576122e+01 | 1.060000000000000e-13 | 1.065814103640150e-14 | PASS |
Multipoles [step 0] | 1.416870527154446e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | 1.234437418007762e-15 | PASS |
Multipoles [step 20] | -1.269354346362574e-01 | -1.269354346362595e-01 | 3.850000000000000e-15 | 2.053912595556540e-15 | PASS |
Forces [step 0] | 8.537673799433509e-02 | 8.537673799433354e-02 | 5.130000000000000e-15 | 1.554312234475219e-15 | PASS |
Forces [step 20] | 7.713299237647586e-02 | 7.713299237647830e-02 | 3.860000000000000e-15 | -2.442490654175344e-15 | PASS |