Input 01-propagators.06-aetrs.inp

Commits > Commit c68f907d5c2dd67e7cea53ae6c080e7ec198375a > Run foss-2022a_mpi_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 5.329070518200751e-15 PASS
Multipoles [step 0] 8.651477971521881e-16 2.282730401188460e-15 4.670000000000000e-15 -1.417582604036272e-15 PASS
Multipoles [step 20] -1.265513823243640e-01 -1.265513823243620e-01 6.330000000000000e-15 -2.026157019940911e-15 PASS
Forces [step 0] 8.537491810749342e-02 8.537491810749601e-02 8.300000000000000e-15 -2.581268532253489e-15 PASS
Forces [step 20] 7.966699321588155e-02 7.966699321588180e-02 4.000000000000000e-14 -2.498001805406602e-16 PASS
Compare to other inputs