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

Commits > Commit 97b4f3224f9be7c1ae7006b6639b45be6cefbdcd > 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 1.780638116610150e-16 6.600000000000000e-15 1.783273469890174e-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 -1.834337869774242e+00 1.830000000000000e-14 -1.776356839400250e-15 PASS
Dipole [step 20] -2.215787801056107e+00 -2.215787801056110e+00 1.110000000000000e-14 2.664535259100376e-15 PASS
Compare to other inputs