Input 06-caetrs.02-kick.inp

Commits > Commit 85779d3dd9ec6e18544835020e079bae8c405b87 > Run spack_foss-2022a_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056698e+01 -1.058495024056696e+01 1.060000000000000e-13 -1.776356839400250e-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 -3.197442310920451e-14 PASS
Energy [step 15] -1.042951704575812e+01 -1.042951704575810e+01 5.210000000000000e-13 -1.953992523340276e-14 PASS
Energy [step 20] -1.042950992989121e+01 -1.042950992989120e+01 5.210000000000000e-14 -5.329070518200751e-15 PASS
Dipole [step 1] -4.128641872824801e-16 1.780638116610150e-16 6.600000000000000e-15 -5.909279989434950e-16 PASS
Dipole [step 5] -7.296268646591282e-01 -7.296268646591400e-01 3.650000000000000e-14 1.176836406102666e-14 PASS
Dipole [step 10] -1.339614999322741e+00 -1.339614999322740e+00 1.100000000000000e-14 -1.110223024625157e-15 PASS
Dipole [step 15] -1.834337869774243e+00 -1.834337869774242e+00 1.830000000000000e-14 -4.440892098500626e-16 PASS
Dipole [step 20] -2.215787801056110e+00 -2.215787801056110e+00 1.110000000000000e-14 0.000000000000000e+00 PASS
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