Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit fc620b07b8352e29314cbb5cb8516e7316f53ec5 > Run foss-omp-full: [foss2023a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766762e+01 -1.060686608766760e+01 1.060000000000000e-13 -2.131628207280301e-14 PASS
Energy [step 20] -1.060637197121569e+01 -1.060637197121568e+01 1.060000000000000e-13 -5.329070518200751e-15 PASS
Multipoles [step 0] 7.792828882191571e-16 0.000000000000000e+00 5.000000000000000e-15 7.792828882191571e-16 PASS
Multipoles [step 20] -1.265533510652003e-01 -1.265533510652042e-01 5.070000000000000e-15 3.885780586188048e-15 PASS
Compare to other inputs