Input 01-propagators.06-aetrs.inp

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run spack_foss-2023a_mpi_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205382e+01 -1.060684240205380e+01 5.300000000000000e-14 -1.776356839400250e-14 PASS
Energy [step 20] -1.060634982716841e+01 -1.060634982716840e+01 5.300000000000000e-13 -1.065814103640150e-14 PASS
Multipoles [step 0] -9.399314212696872e-16 2.282730401188460e-15 4.670000000000000e-15 -3.222661822458147e-15 PASS
Multipoles [step 20] -1.265513823243634e-01 -1.265513823243620e-01 6.330000000000000e-15 -1.360023205165817e-15 PASS
Forces [step 0] 8.537491810748810e-02 8.537491810749601e-02 8.799999999999999e-15 -7.910339050454240e-15 PASS
Forces [step 20] 7.966699321588377e-02 7.966699321588180e-02 4.000000000000000e-14 1.970645868709653e-15 PASS
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