Input 06-caetrs.02-kick.inp

Commits > Commit 7a2cd2a0801cf0c9aaf759ff5aac90b0fe91b5f6 > Run spack_intel-2023a_serial_omp

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] -1.042955032652507e+01 -1.042955032652510e+01 5.210000000000000e-13 2.664535259100376e-14 PASS
Energy [step 10] -1.042953043332983e+01 -1.042953043332980e+01 5.210000000000000e-13 -3.197442310920451e-14 PASS
Energy [step 15] -1.042951704575813e+01 -1.042951704575810e+01 5.210000000000000e-13 -3.197442310920451e-14 PASS
Energy [step 20] -1.042950992989120e+01 -1.042950992989120e+01 5.210000000000000e-14 -1.776356839400250e-15 PASS
Dipole [step 1] 3.323216701822673e-15 1.780638116610150e-16 6.600000000000000e-15 3.145152890161658e-15 PASS
Dipole [step 5] -7.296268646591244e-01 -7.296268646591400e-01 3.650000000000000e-14 1.554312234475219e-14 PASS
Dipole [step 10] -1.339614999322738e+00 -1.339614999322740e+00 1.100000000000000e-14 1.776356839400250e-15 PASS
Dipole [step 15] -1.834337869774242e+00 -1.834337869774242e+00 1.830000000000000e-14 2.220446049250313e-16 PASS
Dipole [step 20] -2.215787801056108e+00 -2.215787801056110e+00 1.110000000000000e-14 2.220446049250313e-15 PASS
Compare to other inputs