Input 06-caetrs.02-kick.inp

Commits > Commit 3f59639a2c09960e9ce8b923e2789a20396f5ecf > Run spack_intel-2022a_impi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056698e+01 -1.058495024056696e+01 1.060000000000000e-13 -2.486899575160351e-14 PASS
Energy [step 5] -1.042955032652508e+01 -1.042955032652510e+01 5.210000000000000e-13 2.309263891220326e-14 PASS
Energy [step 10] -1.042953043332983e+01 -1.042953043332980e+01 5.210000000000000e-13 -3.375077994860476e-14 PASS
Energy [step 15] -1.042951704575812e+01 -1.042951704575810e+01 5.210000000000000e-13 -2.486899575160351e-14 PASS
Energy [step 20] -1.042950992989121e+01 -1.042950992989120e+01 5.210000000000000e-14 -7.105427357601002e-15 PASS
Dipole [step 1] 4.229255834431456e-15 1.780638116610150e-16 6.600000000000000e-15 4.051192022770441e-15 PASS
Dipole [step 5] -7.296268646591251e-01 -7.296268646591400e-01 3.650000000000000e-14 1.487698852997710e-14 PASS
Dipole [step 10] -1.339614999322736e+00 -1.339614999322740e+00 1.100000000000000e-14 4.440892098500626e-15 PASS
Dipole [step 15] -1.834337869774237e+00 -1.834337869774242e+00 1.830000000000000e-14 5.107025913275720e-15 PASS
Dipole [step 20] -2.215787801056106e+00 -2.215787801056110e+00 1.110000000000000e-14 3.996802888650564e-15 PASS
Compare to other inputs