Input 01-propagators.02-expmid.inp

Commits > Commit 85779d3dd9ec6e18544835020e079bae8c405b87 > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Forces [step 1] 8.537491810749076e-02 8.537491810749601e-02 8.799999999999999e-15 -5.245803791353865e-15 PASS
Forces [step 20] 7.966699321588200e-02 7.966699321588180e-02 4.000000000000000e-14 1.942890293094024e-16 PASS
Energy [step 1] -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 8.881784197001252e-15 PASS
Multipoles [step 1] 1.212975032915953e-15 2.282730401188460e-15 4.670000000000000e-15 -1.069755368272507e-15 PASS
Multipoles [step 20] -1.265513823243647e-01 -1.265513823243620e-01 6.330000000000000e-15 -2.692290834716005e-15 PASS
Compare to other inputs