Input 01-propagators.06-aetrs.inp

Commits > Commit b15abc005d0b5301cd748c91bbd98ee634ebaa25 > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205384e+01 -1.060684240205380e+01 5.300000000000000e-14 -3.552713678800501e-14 PASS
Energy [step 20] -1.060634982716840e+01 -1.060634982716840e+01 5.300000000000000e-13 -3.552713678800501e-15 PASS
Multipoles [step 0] -6.182695346901127e-16 2.282730401188460e-15 4.670000000000000e-15 -2.900999935878573e-15 PASS
Multipoles [step 20] -1.265513823243644e-01 -1.265513823243620e-01 6.330000000000000e-15 -2.359223927328458e-15 PASS
Forces [step 0] 8.537491810749209e-02 8.537491810749601e-02 8.799999999999999e-15 -3.913536161803677e-15 PASS
Forces [step 20] 7.966699321588155e-02 7.966699321588180e-02 4.000000000000000e-14 -2.498001805406602e-16 PASS
Compare to other inputs