Input 01-propagators.03-etrs_taylor.inp
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
Run foss_ppc_autotools: [foss2022a-serial]
Matches
Name | Value | Reference | Precision | Difference | Status |
Energy [step 0] | -1.060686608766758e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | 3.730349362740526e-14 | PASS |
Energy [step 20] | -1.060637205318227e+01 | -1.060637205318229e+01 | 1.060000000000000e-13 | 1.953992523340276e-14 | PASS |
Multipoles [step 0] | 1.718541202898848e-15 | 1.824331091466839e-16 | 4.490000000000000e-15 | 1.536108093752164e-15 | PASS |
Multipoles [step 20] | -1.265536606512490e-01 | -1.265536606512522e-01 | 4.000000000000000e-15 | 3.247402347028583e-15 | PASS |
Forces [step 0] | 8.537673799433776e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 4.218847493575595e-15 | PASS |
Forces [step 20] | 7.966960326023287e-02 | 7.966960326023464e-02 | 7.820000000000000e-15 | -1.776356839400250e-15 | PASS |