Input 01-propagators.06-aetrs.inp

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > 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 0.000000000000000e+00 PASS
Energy [step 20] -1.060634982716839e+01 -1.060634982716840e+01 5.300000000000000e-13 1.243449787580175e-14 PASS
Multipoles [step 0] 1.405064907196267e-15 2.282730401188460e-15 4.670000000000000e-15 -8.776654939921929e-16 PASS
Multipoles [step 20] -1.265513823243580e-01 -1.265513823243620e-01 6.330000000000000e-15 4.024558464266192e-15 PASS
Forces [step 0] 8.537491810749476e-02 8.537491810749601e-02 8.799999999999999e-15 -1.249000902703301e-15 PASS
Forces [step 20] 7.966699321588555e-02 7.966699321588180e-02 4.000000000000000e-14 3.747002708109903e-15 PASS
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