Input 06-caetrs.02-kick.inp

Commits > Commit 8f782d5cf55620fdc67b764848371cb8de44e683 > Run spack_foss-2023a_serial_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 1.776356839400250e-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] -1.042950992989121e+01 -1.042950992989120e+01 5.210000000000000e-14 -5.329070518200751e-15 PASS
Dipole [step 1] -4.212696597810650e-15 1.780638116610150e-16 6.600000000000000e-15 -4.390760409471665e-15 PASS
Dipole [step 5] -7.296268646591315e-01 -7.296268646591400e-01 3.650000000000000e-14 8.437694987151190e-15 PASS
Dipole [step 10] -1.339614999322745e+00 -1.339614999322740e+00 1.100000000000000e-14 -5.329070518200751e-15 PASS
Dipole [step 15] -1.834337869774248e+00 -1.834337869774242e+00 1.830000000000000e-14 -6.217248937900877e-15 PASS
Dipole [step 20] -2.215787801056114e+00 -2.215787801056110e+00 1.110000000000000e-14 -3.996802888650564e-15 PASS
Compare to other inputs