Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_intel-2023a_impi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205382e+01 -1.060684240205380e+01 5.000000000000000e-13 -2.131628207280301e-14 PASS
Energy [step 20] -1.060634826182159e+01 -1.060634826182150e+01 5.000000000000000e-13 -8.526512829121202e-14 PASS
Multipoles [step 0] -1.395107906152285e-15 0.000000000000000e+00 5.000000000000000e-15 -1.395107906152285e-15 PASS
Multipoles [step 20] -1.265537671052354e-01 -1.265537671052304e-01 5.000000000000000e-14 -5.023759186428833e-15 PASS
Compare to other inputs