Input 01-propagators.06-aetrs.inp

Commits > Commit 49118372ba86b967cc9f5fccbbf24835f53b10d7 > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205383e+01 -1.060684240205380e+01 5.300000000000000e-14 -2.664535259100376e-14 PASS
Energy [step 20] -1.060634982716839e+01 -1.060634982716840e+01 5.300000000000000e-13 1.243449787580175e-14 PASS
Multipoles [step 0] 2.161271162037792e-15 2.282730401188460e-15 4.670000000000000e-15 -1.214592391506677e-16 PASS
Multipoles [step 20] -1.265513823243646e-01 -1.265513823243620e-01 6.330000000000000e-15 -2.581268532253489e-15 PASS
Forces [step 0] 8.537491810749209e-02 8.537491810749601e-02 8.799999999999999e-15 -3.913536161803677e-15 PASS
Forces [step 20] 7.966699321588244e-02 7.966699321588180e-02 4.000000000000000e-14 6.383782391594650e-16 PASS
Compare to other inputs