Input 01-propagators.06-aetrs.inp

Commits > Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 > Run foss_cuda_autotools: [foss2022a-cuda-mpi]

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] -1.060637353666412e+01 -1.060637353666412e+01 1.060000000000000e-13 3.552713678800501e-15 PASS
Multipoles [step 0] 1.273698614840443e-15 1.824331091466839e-16 4.490000000000000e-15 1.091265505693759e-15 PASS
Multipoles [step 20] -1.265509663990602e-01 -1.265509663990613e-01 4.000000000000000e-15 1.082467449009528e-15 PASS
Forces [step 0] 8.537673799433776e-02 8.537673799433354e-02 1.250000000000000e-14 4.218847493575595e-15 PASS
Forces [step 20] 7.966840852244994e-02 7.966840852244794e-02 8.059999999999999e-15 1.998401444325282e-15 PASS
Compare to other inputs