Input 06-caetrs.03-kick-tp1.inp

Commits > Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 > Run spack_foss-2022a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056698e+01 -1.058495024056700e+01 5.290000000000000e-14 2.309263891220326e-14 PASS
Energy [step 5] -1.042955032652507e+01 -1.042955032652510e+01 5.210000000000000e-13 2.664535259100376e-14 PASS
Energy [step 10] -1.042953043332983e+01 -1.042953043332980e+01 5.210000000000000e-13 -3.019806626980426e-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] -3.705369344686460e-15 1.780638116610150e-16 6.600000000000000e-15 -3.883433156347475e-15 PASS
Dipole [step 5] -7.296268646591322e-01 -7.296268646591400e-01 3.650000000000000e-14 7.771561172376096e-15 PASS
Dipole [step 10] -1.339614999322743e+00 -1.339614999322740e+00 1.100000000000000e-14 -3.330669073875470e-15 PASS
Dipole [step 15] -1.834337869774243e+00 -1.834337869774330e+00 9.170000000000000e-14 8.748557434046234e-14 PASS
Dipole [step 20] -2.215787801056110e+00 -2.215787801056110e+00 1.110000000000000e-14 4.440892098500626e-16 PASS
Compare to other inputs