Input 01-propagators.05-etrs_chebyshev.inp

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205380e+01 -1.060684240205380e+01 5.300000000000000e-14 -1.776356839400250e-15 PASS
Energy [step 20] -1.059303740001092e+01 -1.059303740000000e+01 5.300000000000000e-07 -1.091748913495394e-11 PASS
Multipoles [step 0] 1.405064907196267e-15 2.282730401188460e-15 4.670000000000000e-15 -8.776654939921929e-16 PASS
Multipoles [step 20] -1.269358520168062e-01 -1.269358520168070e-01 6.100000000000000e-15 8.049116928532385e-16 PASS
Forces [step 0] 8.537491810749476e-02 8.537491810749601e-02 8.799999999999999e-15 -1.249000902703301e-15 PASS
Forces [step 20] 7.713156481503702e-02 7.713156481503500e-02 4.000000000000000e-14 2.026157019940911e-15 PASS
Compare to other inputs