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

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056697e+01 -1.058495024056696e+01 1.060000000000000e-13 -1.421085471520200e-14 PASS
Energy [step 5] -1.042955032652508e+01 -1.042955032652510e+01 5.210000000000000e-13 2.309263891220326e-14 PASS
Energy [step 10] -1.042953043332983e+01 -1.042953043332980e+01 5.210000000000000e-13 -3.375077994860476e-14 PASS
Energy [step 15] -1.042951704575813e+01 -1.042951704575810e+01 5.210000000000000e-13 -3.197442310920451e-14 PASS
Energy [step 20] -1.042950992989120e+01 -1.042950992989120e+01 5.210000000000000e-14 1.776356839400250e-15 PASS
Dipole [step 1] 4.352249029920818e-15 1.494990959640600e-16 6.600000000000000e-15 4.202749933956758e-15 PASS
Dipole [step 5] -7.296268646591236e-01 -7.296268646591400e-01 3.650000000000000e-14 1.632027846198980e-14 PASS
Dipole [step 10] -1.339614999322736e+00 -1.339614999322740e+00 1.100000000000000e-14 4.218847493575595e-15 PASS
Dipole [step 15] -1.834337869774241e+00 -1.834337869774243e+00 1.830000000000000e-14 1.554312234475219e-15 PASS
Dipole [step 20] -2.215787801056107e+00 -2.215787801056108e+00 2.220000000000000e-14 8.881784197001252e-16 PASS
Compare to other inputs