Input 15-electronic_system_restart.02-td_full.inp

Commits > Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 > Run foss_autotools: [foss2022a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766759e+01 -1.060686608766760e+01 1.060000000000000e-13 1.065814103640150e-14 PASS
Energy [step 20] -1.060637353666430e+01 -1.060637353666430e+01 1.060000000000000e-13 -3.552713678800501e-15 PASS
Multipoles [step 0] 2.621652284910507e-15 -8.908015926463452e-16 4.090000000000000e-15 3.512453877556852e-15 PASS
Multipoles [step 20] -1.265509664058009e-01 -1.265509664058046e-01 4.850000000000000e-15 3.719247132494274e-15 PASS
Compare to other inputs