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

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_foss-2023a_serial_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056696e+01 -1.058495024056696e+01 1.060000000000000e-13 3.552713678800501e-15 PASS
Energy [step 5] -1.042955032652509e+01 -1.042955032652510e+01 5.210000000000000e-13 1.243449787580175e-14 PASS
Energy [step 10] -1.042953043332985e+01 -1.042953043332980e+01 5.210000000000000e-13 -4.618527782440651e-14 PASS
Energy [step 15] -1.042951704575811e+01 -1.042951704575810e+01 5.210000000000000e-13 -1.421085471520200e-14 PASS
Energy [step 20] -1.042950992989121e+01 -1.042950992989120e+01 5.210000000000000e-14 -7.105427357601002e-15 PASS
Dipole [step 1] -4.298559677152515e-15 1.494990959640600e-16 6.600000000000000e-15 -4.448058773116575e-15 PASS
Dipole [step 5] -7.296268646591343e-01 -7.296268646591400e-01 3.650000000000000e-14 5.662137425588298e-15 PASS
Dipole [step 10] -1.339614999322746e+00 -1.339614999322740e+00 1.100000000000000e-14 -5.773159728050814e-15 PASS
Dipole [step 15] -1.834337869774247e+00 -1.834337869774243e+00 1.830000000000000e-14 -4.218847493575595e-15 PASS
Dipole [step 20] -2.215787801056115e+00 -2.215787801056108e+00 2.220000000000000e-14 -7.105427357601002e-15 PASS
Compare to other inputs