Input 06-caetrs.04-kick-tp2.inp

Commits > Commit 6186e1f92bb6a84e4a2e679736ea9db4d0c9eca5 > Run spack_foss-2023a_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056696e+01 -1.058495024056696e+01 1.060000000000000e-13 -3.552713678800501e-15 PASS
Energy [step 5] -1.042955032652509e+01 -1.042955032652510e+01 5.210000000000000e-13 1.243449787580175e-14 PASS
Energy [step 10] -1.042953043332984e+01 -1.042953043332980e+01 5.210000000000000e-13 -4.440892098500626e-14 PASS
Energy [step 15] -1.042951704575814e+01 -1.042951704575810e+01 5.210000000000000e-13 -4.440892098500626e-14 PASS
Energy [step 20] -1.042950992989119e+01 -1.042950992989120e+01 5.210000000000000e-14 1.243449787580175e-14 PASS
Dipole [step 1] -2.573124208821685e-16 1.494990959640600e-16 6.600000000000000e-15 -4.068115168462285e-16 PASS
Dipole [step 5] -7.296268646591294e-01 -7.296268646591400e-01 3.650000000000000e-14 1.054711873393899e-14 PASS
Dipole [step 10] -1.339614999322742e+00 -1.339614999322740e+00 1.100000000000000e-14 -1.998401444325282e-15 PASS
Dipole [step 15] -1.834337869774245e+00 -1.834337869774243e+00 1.830000000000000e-14 -1.554312234475219e-15 PASS
Dipole [step 20] -2.215787801056111e+00 -2.215787801056108e+00 2.220000000000000e-14 -3.552713678800501e-15 PASS
Compare to other inputs