Input 01-propagators.06-aetrs.inp

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run spack_intel-2022a_impi_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] -1.060634982716839e+01 -1.060634982716840e+01 5.300000000000000e-13 7.105427357601002e-15 PASS
Multipoles [step 0] 4.397763403440891e-15 2.282730401188460e-15 4.670000000000000e-15 2.115033002252431e-15 PASS
Multipoles [step 20] -1.265513823243621e-01 -1.265513823243620e-01 6.330000000000000e-15 -1.110223024625157e-16 PASS
Forces [step 0] 8.537491810749076e-02 8.537491810749601e-02 8.799999999999999e-15 -5.245803791353865e-15 PASS
Forces [step 20] 7.966699321588155e-02 7.966699321588180e-02 4.000000000000000e-14 -2.498001805406602e-16 PASS
Compare to other inputs