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

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_intel-2023a_impi

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] -1.042955032652509e+01 -1.042955032652510e+01 5.210000000000000e-13 1.421085471520200e-14 PASS
Energy [step 10] -1.042953043332983e+01 -1.042953043332980e+01 5.210000000000000e-13 -2.842170943040401e-14 PASS
Energy [step 15] -1.042951704575814e+01 -1.042951704575810e+01 5.210000000000000e-13 -3.730349362740526e-14 PASS
Energy [step 20] -1.042950992989119e+01 -1.042950992989120e+01 5.210000000000000e-14 8.881784197001252e-15 PASS
Dipole [step 1] 1.119641183965677e-15 1.494990959640600e-16 6.600000000000000e-15 9.701420880016172e-16 PASS
Dipole [step 5] -7.296268646591284e-01 -7.296268646591400e-01 3.650000000000000e-14 1.154631945610163e-14 PASS
Dipole [step 10] -1.339614999322742e+00 -1.339614999322740e+00 1.100000000000000e-14 -2.220446049250313e-15 PASS
Dipole [step 15] -1.834337869774245e+00 -1.834337869774243e+00 1.830000000000000e-14 -1.554312234475219e-15 PASS
Dipole [step 20] -2.215787801056110e+00 -2.215787801056108e+00 2.220000000000000e-14 -1.776356839400250e-15 PASS
Compare to other inputs