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

Commits > Commit 7a2379c5947d58fb2522a5e1a0c4903dfa35a523 > Run spack_foss-2022a_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056695e+01 -1.058495024056696e+01 1.060000000000000e-13 7.105427357601002e-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] -1.042951704575811e+01 -1.042951704575810e+01 5.210000000000000e-13 -1.421085471520200e-14 PASS
Energy [step 20] -1.042950992989120e+01 -1.042950992989120e+01 5.210000000000000e-14 -1.776356839400250e-15 PASS
Dipole [step 1] -1.323319322773641e-15 1.494990959640600e-16 6.600000000000000e-15 -1.472818418737701e-15 PASS
Dipole [step 5] -7.296268646591306e-01 -7.296268646591400e-01 3.650000000000000e-14 9.325873406851315e-15 PASS
Dipole [step 10] -1.339614999322743e+00 -1.339614999322740e+00 1.100000000000000e-14 -3.330669073875470e-15 PASS
Dipole [step 15] -1.834337869774245e+00 -1.834337869774243e+00 1.830000000000000e-14 -1.998401444325282e-15 PASS
Dipole [step 20] -2.215787801056112e+00 -2.215787801056108e+00 2.220000000000000e-14 -4.440892098500626e-15 PASS
Compare to other inputs