Input 08-coulomb_force.01-classical_helium.inp

Commits > Commit 08b73ec86c1ce3969ff61040f8f54a592910f9b6 > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Nucleus pos x (t=10) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Nucleus pos y (t=10) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Nucleus pos z (t=10) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Nucleus vel x (t=10) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Nucleus vel y (t=10) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Nucleus vel z (t=10) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Electron 1 pos x (t=10) 7.979115367295128e-01 7.979131499959000e-01 1.000000000000000e-04 -1.613266387257006e-06 PASS
Electron 1 pos y (t=10) 8.580963412961888e-01 8.580941528529999e-01 1.000000000000000e-04 2.188443188888556e-06 PASS
Electron 1 pos z (t=10) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Electron 1 vel x (t=10) 8.543811727503224e-01 8.543794801182000e-01 1.000000000000000e-04 1.692632122463067e-06 PASS
Electron 1 vel y (t=10) -9.610822832989816e-01 -9.610845037419000e-01 1.000000000000000e-04 2.220442918421384e-06 PASS
Electron 1 vel z (t=10) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Electron 2 pos x (t=10) -7.979115367295128e-01 -7.979131499959000e-01 1.000000000000000e-04 1.613266387257006e-06 PASS
Electron 2 pos y (t=10) -8.580963412961888e-01 -8.580941528529999e-01 1.000000000000000e-04 -2.188443188888556e-06 PASS
Electron 2 pos z (t=10) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Electron 2 vel x (t=10) -8.543811727503224e-01 -8.543794801182000e-01 1.000000000000000e-04 -1.692632122463067e-06 PASS
Electron 2 vel y (t=10) 9.610822832989816e-01 9.610845037419000e-01 1.000000000000000e-04 -2.220442918421384e-06 PASS
Electron 2 vel z (t=10) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Nucleus Total energy (t=10) -1.706852404753424e+00 -1.706852404753000e+00 1.000000000000000e-04 -4.241051954068098e-13 PASS
Nucleus Kinetic energy (t=10) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Nucleus Potential energy (t=10) -1.706852404753424e+00 -1.706852404753000e+00 1.000000000000000e-04 -4.241051954068098e-13 PASS
Nucleus Internal energy (t=10) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Electron 1 Total energy (t=10) 1.867535200281660e-01 1.867535200282000e-01 1.000000000000000e-04 -3.397282455352979e-14 PASS
Electron 1 Kinetic energy (t=10) 8.268231718107001e-01 8.268231718107000e-01 1.000000000000000e-04 1.110223024625157e-16 PASS
Electron 1 Potential energy (t=10) -6.400696517825341e-01 -6.400696517825000e-01 1.000000000000000e-04 -3.408384685599231e-14 PASS
Electron 1 Internal energy (t=10) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
Electron 2 Total energy (t=10) 1.867535200281660e-01 1.867535200282000e-01 1.000000000000000e-04 -3.397282455352979e-14 PASS
Electron 2 Kinetic energy (t=10) 8.268231718107001e-01 8.268231718107000e-01 1.000000000000000e-04 1.110223024625157e-16 PASS
Electron 2 Potential energy (t=10) -6.400696517825341e-01 -6.400696517825000e-01 1.000000000000000e-04 -3.408384685599231e-14 PASS
Electron 2 Internal energy (t=10) 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
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