Input 06-caetrs.02-kick.inp

Commits > Commit 17b096911440bfe83ad69af07734b73ecc024f80 > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056698e+01 -1.058495024056696e+01 1.060000000000000e-13 -2.131628207280301e-14 PASS
Energy [step 5] -1.042955032652507e+01 -1.042955032652510e+01 5.210000000000000e-13 2.486899575160351e-14 PASS
Energy [step 10] -1.042953043332983e+01 -1.042953043332980e+01 5.210000000000000e-13 -2.842170943040401e-14 PASS
Energy [step 15] -1.042951704575812e+01 -1.042951704575810e+01 5.210000000000000e-13 -1.776356839400250e-14 PASS
Energy [step 20] -1.042950992989121e+01 -1.042950992989120e+01 5.210000000000000e-14 -5.329070518200751e-15 PASS
Dipole [step 1] -1.096345236817342e-15 1.780638116610150e-16 6.600000000000000e-15 -1.274409048478357e-15 PASS
Dipole [step 5] -7.296268646591297e-01 -7.296268646591400e-01 3.650000000000000e-14 1.021405182655144e-14 PASS
Dipole [step 10] -1.339614999322740e+00 -1.339614999322740e+00 1.100000000000000e-14 -2.220446049250313e-16 PASS
Dipole [step 15] -1.834337869774242e+00 -1.834337869774242e+00 1.830000000000000e-14 4.440892098500626e-16 PASS
Dipole [step 20] -2.215787801056108e+00 -2.215787801056110e+00 1.110000000000000e-14 2.220446049250313e-15 PASS
Compare to other inputs