Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 > Run foss_cuda_mpi_omp_autotools: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766762e+01 -1.060686608766760e+01 1.060000000000000e-13 -1.776356839400250e-14 PASS
Energy [step 20] -1.060637197121568e+01 -1.060637197121568e+01 1.060000000000000e-13 5.329070518200751e-15 PASS
Multipoles [step 0] -2.100218436662527e-15 0.000000000000000e+00 5.000000000000000e-15 -2.100218436662527e-15 PASS
Multipoles [step 20] -1.265533510652025e-01 -1.265533510652042e-01 5.070000000000000e-15 1.720845688168993e-15 PASS
Compare to other inputs