Input 01-propagators.03-etrs_taylor.inp

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run spack_intel-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205382e+01 -1.060684240205380e+01 8.300000000000000e-14 -2.309263891220326e-14 PASS
Energy [step 20] -1.060634834378748e+01 -1.060634834378750e+01 5.300000000000000e-13 2.131628207280301e-14 PASS
Multipoles [step 0] 5.133206359975162e-15 2.282730401188460e-15 4.670000000000000e-15 2.850475958786702e-15 PASS
Multipoles [step 20] -1.265540767271354e-01 -1.265540767271380e-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] 7.966818746569526e-02 7.966818746569601e-02 3.980000000000000e-15 -7.494005416219807e-16 PASS
Compare to other inputs