Input 01-propagators.06-aetrs.inp

Commits > Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 > Run spack_intel-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205382e+01 -1.060684240205380e+01 5.300000000000000e-14 -2.309263891220326e-14 PASS
Energy [step 20] -1.060634982716838e+01 -1.060634982716840e+01 5.300000000000000e-13 1.776356839400250e-14 PASS
Multipoles [step 0] 5.133206359975162e-15 2.282730401188460e-15 4.670000000000000e-15 2.850475958786702e-15 PASS
Multipoles [step 20] -1.265513823243611e-01 -1.265513823243620e-01 6.330000000000000e-15 9.159339953157541e-16 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