Input 01-propagators.06-aetrs.inp

Commits > Commit b6caf805fea115365f1246dd8a44b3bc3b7dd03a > Run spack_foss-2022a_mpi_debug

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205381e+01 -1.060684240205380e+01 5.300000000000000e-14 -1.421085471520200e-14 PASS
Energy [step 20] -1.060634982716841e+01 -1.060634982716840e+01 5.300000000000000e-13 -7.105427357601002e-15 PASS
Multipoles [step 0] -1.233658926966599e-15 2.282730401188460e-15 4.670000000000000e-15 -3.516389328155059e-15 PASS
Multipoles [step 20] -1.265513823243649e-01 -1.265513823243620e-01 6.330000000000000e-15 -2.914335439641036e-15 PASS
Forces [step 0] 8.537491810749165e-02 8.537491810749601e-02 8.799999999999999e-15 -4.357625371653739e-15 PASS
Forces [step 20] 7.966699321588155e-02 7.966699321588180e-02 4.000000000000000e-14 -2.498001805406602e-16 PASS
Compare to other inputs