Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit 6e9e1a4536d8fe2a292bd24d601ed608cb4be1e6 > Run foss-opt-full: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766758e+01 -1.060686608766760e+01 1.060000000000000e-13 2.131628207280301e-14 PASS
Energy [step 20] -1.060637197121568e+01 -1.060637197121568e+01 1.060000000000000e-13 -3.552713678800501e-15 PASS
Multipoles [step 0] 2.828703092074003e-15 0.000000000000000e+00 5.000000000000000e-15 2.828703092074003e-15 PASS
Multipoles [step 20] -1.265533510652001e-01 -1.265533510652042e-01 5.070000000000000e-15 4.080069615497450e-15 PASS
Compare to other inputs