Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit 85779d3dd9ec6e18544835020e079bae8c405b87 > Run spack_foss-2023a_valgrind

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060684240205382e+01 -1.060684240205380e+01 5.000000000000000e-13 -1.776356839400250e-14 PASS
Energy [step 20] -1.060634826182158e+01 -1.060634826182150e+01 5.000000000000000e-13 -8.348877145181177e-14 PASS
Multipoles [step 0] -2.549972562206244e-16 0.000000000000000e+00 5.000000000000000e-15 -2.549972562206244e-16 PASS
Multipoles [step 20] -1.265537671052382e-01 -1.265537671052304e-01 5.000000000000000e-14 -7.799316747991725e-15 PASS
Compare to other inputs