Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit f4bc596bdcf3afff33b833944576bfd5457df1bc > Run foss-mpi-opt-full: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766764e+01 -1.060686608766760e+01 1.060000000000000e-13 -3.730349362740526e-14 PASS
Energy [step 20] -1.060637197121569e+01 -1.060637197121568e+01 1.060000000000000e-13 -5.329070518200751e-15 PASS
Multipoles [step 0] -1.210472335159887e-15 0.000000000000000e+00 5.000000000000000e-15 -1.210472335159887e-15 PASS
Multipoles [step 20] -1.265533510652027e-01 -1.265533510652042e-01 5.070000000000000e-15 1.554312234475219e-15 PASS
Compare to other inputs