Input 15-electronic_system_restart.02-td_full.inp

Commits > Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e > Run foss_mpi_min_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766764e+01 -1.060686608766760e+01 1.060000000000000e-13 -3.552713678800501e-14 PASS
Energy [step 20] -1.060637353666431e+01 -1.060637353666430e+01 1.060000000000000e-13 -1.243449787580175e-14 PASS
Multipoles [step 0] 5.050326611988690e-16 6.744248104320451e-16 4.500000000000000e-15 -1.693921492331761e-16 PASS
Multipoles [step 20] -1.265509664058023e-01 -1.265509664058023e-01 4.920000000000000e-15 -2.775557561562891e-17 PASS
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