Input 06-caetrs.04-kick-tp2.inp

Commits > Commit 8d23e603cdf2a9650728391e2c6c79d08499fe04 > Run intel-2022a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056697e+01 -1.058495024056700e+01 5.290000000000000e-14 2.664535259100376e-14 PASS
Energy [step 5] -1.042955032652508e+01 -1.042955032652510e+01 5.210000000000000e-13 1.953992523340276e-14 PASS
Energy [step 10] -1.042953043332983e+01 -1.042953043332980e+01 5.210000000000000e-13 -2.486899575160351e-14 PASS
Energy [step 15] -1.042951704575814e+01 -1.042951704575810e+01 5.210000000000000e-13 -3.907985046680551e-14 PASS
Energy [step 20] -1.042950992989119e+01 -1.042950992989120e+01 5.210000000000000e-14 5.329070518200751e-15 PASS
Dipole [step 1] 1.108500620396365e-15 1.494990959640600e-16 6.600000000000000e-15 9.590015244323047e-16 PASS
Dipole [step 5] -7.296268646591285e-01 -7.296268646591400e-01 3.650000000000000e-14 1.143529715363911e-14 PASS
Dipole [step 10] -1.339614999322741e+00 -1.339614999322740e+00 1.100000000000000e-14 -8.881784197001252e-16 PASS
Dipole [step 15] -1.834337869774244e+00 -1.834337869774330e+00 9.170000000000000e-14 8.615330671091215e-14 PASS
Dipole [step 20] -2.215787801056109e+00 -2.215787801056115e+00 1.110000000000000e-14 5.773159728050814e-15 PASS
Compare to other inputs