Input 01-propagators.06-aetrs.inp

Commits > Commit 57f8ca8d342504024fed98c8f4356f69f5870627 > Run cuda-serial: [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] -1.140935246670208e-15 5.879834888021430e-16 4.510000000000000e-15 -1.728918735472351e-15 PASS
Multipoles [step 20] -1.265509663990600e-01 -1.265509663990618e-01 5.590000000000000e-15 1.804112415015879e-15 PASS
Forces [step 0] 8.537673799433732e-02 8.537673799433354e-02 1.250000000000000e-14 3.774758283725532e-15 PASS
Forces [step 20] 7.966840852244950e-02 7.966840852244794e-02 8.059999999999999e-15 1.554312234475219e-15 PASS
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