Input 01-propagators.05-etrs_chebyshev.inp

Commits > Commit 4eed2c655b9f478fca43a397c5feb863f7436add > Run spack_foss-2022a_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] -1.059303740001089e+01 -1.059303740000000e+01 5.300000000000000e-07 -1.089262013920234e-11 PASS
Multipoles [step 0] 1.863700600096552e-15 2.282730401188460e-15 4.670000000000000e-15 -4.190298010919082e-16 PASS
Multipoles [step 20] -1.269358520168061e-01 -1.269358520168070e-01 6.100000000000000e-15 9.159339953157541e-16 PASS
Forces [step 0] 8.537491810749120e-02 8.537491810749601e-02 8.799999999999999e-15 -4.801714581503802e-15 PASS
Forces [step 20] 7.713156481502459e-02 7.713156481503500e-02 4.000000000000000e-14 -1.040834085586084e-14 PASS
Compare to other inputs