Input 01-propagators.05-etrs_chebyshev.inp
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_mpi_opt_autotools: [foss2023a-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
Energy [step 0] | -1.060686608766763e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -8.881784197001252e-15 | PASS |
Energy [step 20] | -1.059306110576122e+01 | -1.059306110576122e+01 | 1.060000000000000e-13 | 1.776356839400250e-15 | PASS |
Multipoles [step 0] | 2.761706390918412e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | 2.579273281771728e-15 | PASS |
Multipoles [step 20] | -1.269354346362579e-01 | -1.269354346362595e-01 | 3.850000000000000e-15 | 1.582067810090848e-15 | PASS |
Forces [step 0] | 8.537673799433332e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | -2.220446049250313e-16 | PASS |
Forces [step 20] | 7.713299237647808e-02 | 7.713299237647830e-02 | 9.040000000000000e-15 | -2.220446049250313e-16 | PASS |