Input 06-caetrs.02-kick.inp

Commits > Commit bae4500c7a0d1ba65b012093daf21b2d064fac81 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056697e+01 -1.058495024056696e+01 1.060000000000000e-13 -1.065814103640150e-14 PASS
Energy [step 5] -1.042955032652506e+01 -1.042955032652510e+01 5.210000000000000e-13 3.552713678800501e-14 PASS
Energy [step 10] -1.042953043332982e+01 -1.042953043332980e+01 5.210000000000000e-13 -1.953992523340276e-14 PASS
Energy [step 15] -1.042951704575811e+01 -1.042951704575810e+01 5.210000000000000e-13 -8.881784197001252e-15 PASS
Energy [step 20] -1.042950992989119e+01 -1.042950992989120e+01 5.210000000000000e-14 5.329070518200751e-15 PASS
Dipole [step 1] -5.166006511458932e-15 1.780638116610150e-16 6.600000000000000e-15 -5.344070323119946e-15 PASS
Dipole [step 5] -7.296268646591337e-01 -7.296268646591400e-01 3.650000000000000e-14 6.217248937900877e-15 PASS
Dipole [step 10] -1.339614999322743e+00 -1.339614999322740e+00 1.100000000000000e-14 -3.330669073875470e-15 PASS
Dipole [step 15] -1.834337869774245e+00 -1.834337869774242e+00 1.830000000000000e-14 -3.330669073875470e-15 PASS
Dipole [step 20] -2.215787801056113e+00 -2.215787801056110e+00 1.110000000000000e-14 -2.664535259100376e-15 PASS
Compare to other inputs