Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit 58dcf5562fbb52d037ca78866f8fd352b3754746 > Run foss-2022a_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205381e+01 -1.060684240205380e+01 5.000000000000000e-13 -1.421085471520200e-14 PASS
Energy [step 20] -1.060634826182157e+01 -1.060634826182150e+01 5.000000000000000e-13 -6.927791673660977e-14 PASS
Multipoles [step 0] -1.202530262867096e-15 0.000000000000000e+00 5.000000000000000e-15 -1.202530262867096e-15 PASS
Multipoles [step 20] -1.265537671052359e-01 -1.265537671052304e-01 5.000000000000000e-14 -5.551115123125783e-15 PASS
Compare to other inputs