Input 06-caetrs.03-kick-tp1.inp

Commits > Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 > Run spack_foss-2023a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 1] -1.058497392618079e+01 -1.058497392618078e+01 1.060000000000000e-13 -1.243449787580175e-14 PASS
Energy [step 5] -1.042957396714843e+01 -1.042957396714843e+01 1.040000000000000e-13 0.000000000000000e+00 PASS
Energy [step 10] -1.042955407412301e+01 -1.042955407412301e+01 1.040000000000000e-13 -3.552713678800501e-15 PASS
Energy [step 15] -1.042954068676079e+01 -1.042954068676079e+01 1.040000000000000e-13 -3.552713678800501e-15 PASS
Energy [step 20] -1.042953357117196e+01 -1.042953357117197e+01 1.040000000000000e-13 1.243449787580175e-14 PASS
Dipole [step 1] 3.885780586188048e-16 1.780638116610150e-16 6.600000000000000e-15 2.105142469577898e-16 PASS
Dipole [step 5] -7.296259873396673e-01 -7.296259873396698e-01 7.300000000000000e-15 2.442490654175344e-15 PASS
Dipole [step 10] -1.339612194748664e+00 -1.339612194748670e+00 1.340000000000000e-14 6.217248937900877e-15 PASS
Dipole [step 15] -1.834332930312637e+00 -1.834332930312640e+00 9.170000000000000e-14 3.108624468950438e-15 PASS
Dipole [step 20] -2.215781015847295e+00 -2.215781015847290e+00 2.220000000000000e-14 -4.884981308350689e-15 PASS
Compare to other inputs