Input 06-caetrs.02-kick.inp

Commits > Commit 42d5c2c12b8376ac01df1778205b77ce6ca96480 > Run spack_foss-2022a_cuda_serial

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058495024056696e+01 -1.058495024056700e+01 5.290000000000000e-14 4.440892098500626e-14 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] -1.042951704575809e+01 -1.042951704575810e+01 5.210000000000000e-13 7.105427357601002e-15 PASS
Energy [step 20] -1.042950992989121e+01 -1.042950992989120e+01 5.210000000000000e-14 -1.243449787580175e-14 PASS
Dipole [step 1] -8.921168857356325e-16 1.780638116610150e-16 6.600000000000000e-15 -1.070180697396647e-15 PASS
Dipole [step 5] -7.296268646591300e-01 -7.296268646591400e-01 3.650000000000000e-14 9.992007221626409e-15 PASS
Dipole [step 10] -1.339614999322744e+00 -1.339614999322740e+00 1.100000000000000e-14 -3.996802888650564e-15 PASS
Dipole [step 15] -1.834337869774247e+00 -1.834337869774330e+00 9.170000000000000e-14 8.348877145181177e-14 PASS
Dipole [step 20] -2.215787801056111e+00 -2.215787801056110e+00 1.110000000000000e-14 -8.881784197001252e-16 PASS
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