Input 06-caetrs.02-kick.inp

Commits > Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 > Run spack_foss-2022a_serial_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056697e+01 -1.058495024056700e+01 5.290000000000000e-14 3.019806626980426e-14 PASS
Energy [step 5] -1.042955032652508e+01 -1.042955032652510e+01 5.210000000000000e-13 1.598721155460225e-14 PASS
Energy [step 10] -1.042953043332984e+01 -1.042953043332980e+01 5.210000000000000e-13 -3.730349362740526e-14 PASS
Energy [step 15] -1.042951704575813e+01 -1.042951704575810e+01 5.210000000000000e-13 -3.375077994860476e-14 PASS
Energy [step 20] -1.042950992989120e+01 -1.042950992989120e+01 5.210000000000000e-14 0.000000000000000e+00 PASS
Dipole [step 1] -1.880058608794144e-15 1.780638116610150e-16 6.600000000000000e-15 -2.058122420455159e-15 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 -2.442490654175344e-15 PASS
Dipole [step 15] -1.834337869774246e+00 -1.834337869774330e+00 9.170000000000000e-14 8.437694987151190e-14 PASS
Dipole [step 20] -2.215787801056112e+00 -2.215787801056110e+00 1.110000000000000e-14 -1.776356839400250e-15 PASS
Compare to other inputs