Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 > Run foss-serial-min: [foss2022a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766759e+01 -1.060686608766760e+01 1.060000000000000e-13 1.065814103640150e-14 PASS
Energy [step 20] -1.060637197121569e+01 -1.060637197121568e+01 1.060000000000000e-13 -1.065814103640150e-14 PASS
Multipoles [step 0] 2.621652284910507e-15 0.000000000000000e+00 5.000000000000000e-15 2.621652284910507e-15 PASS
Multipoles [step 20] -1.265533510651999e-01 -1.265533510652042e-01 5.070000000000000e-15 4.329869796038111e-15 PASS
Compare to other inputs