Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 > Run foss-mpi-omp-full: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766763e+01 -1.060686608766760e+01 1.060000000000000e-13 -2.664535259100376e-14 PASS
Energy [step 20] -1.060637197121568e+01 -1.060637197121568e+01 1.060000000000000e-13 1.776356839400250e-15 PASS
Multipoles [step 0] 4.518299796807401e-16 0.000000000000000e+00 5.000000000000000e-15 4.518299796807401e-16 PASS
Multipoles [step 20] -1.265533510652016e-01 -1.265533510652042e-01 5.070000000000000e-15 2.581268532253489e-15 PASS
Compare to other inputs