Input 01-propagators.03-etrs_taylor.inp

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766758e+01 -1.060686608766762e+01 1.060000000000000e-13 4.085620730620576e-14 PASS
Energy [step 20] -1.060637205318229e+01 -1.060637205318229e+01 1.060000000000000e-13 5.329070518200751e-15 PASS
Multipoles [step 0] 1.273698614840443e-15 1.824331091466839e-16 4.490000000000000e-15 1.091265505693759e-15 PASS
Multipoles [step 20] -1.265536606512503e-01 -1.265536606512522e-01 3.510000000000000e-15 1.859623566247137e-15 PASS
Forces [step 0] 8.537673799433776e-02 8.537673799433354e-02 5.130000000000000e-15 4.218847493575595e-15 PASS
Forces [step 20] 7.966960326023642e-02 7.966960326023464e-02 2.440000000000000e-15 1.776356839400250e-15 PASS
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