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

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_intel-2023a_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056696e+01 -1.058495024056696e+01 1.060000000000000e-13 -5.329070518200751e-15 PASS
Energy [step 5] -1.042955032652509e+01 -1.042955032652510e+01 5.210000000000000e-13 1.421085471520200e-14 PASS
Energy [step 10] -1.042953043332983e+01 -1.042953043332980e+01 5.210000000000000e-13 -3.197442310920451e-14 PASS
Energy [step 15] -1.042951704575811e+01 -1.042951704575810e+01 5.210000000000000e-13 -8.881784197001252e-15 PASS
Energy [step 20] -1.042950992989120e+01 -1.042950992989120e+01 5.210000000000000e-14 -1.776356839400250e-15 PASS
Dipole [step 1] 1.961337281551189e-15 1.494990959640600e-16 6.600000000000000e-15 1.811838185587129e-15 PASS
Dipole [step 5] -7.296268646591265e-01 -7.296268646591400e-01 3.650000000000000e-14 1.343369859796439e-14 PASS
Dipole [step 10] -1.339614999322742e+00 -1.339614999322740e+00 1.100000000000000e-14 -1.554312234475219e-15 PASS
Dipole [step 15] -1.834337869774244e+00 -1.834337869774243e+00 1.830000000000000e-14 -8.881784197001252e-16 PASS
Dipole [step 20] -2.215787801056107e+00 -2.215787801056108e+00 2.220000000000000e-14 4.440892098500626e-16 PASS
Compare to other inputs