Input 15-electronic_system_restart.02-td_full.inp

Commits > Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 > Run foss_mpi_autotools: [foss2023a-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766763e+01 -1.060686608766760e+01 1.060000000000000e-13 -3.197442310920451e-14 PASS
Energy [step 20] -1.060637353666430e+01 -1.060637353666430e+01 1.060000000000000e-13 -1.776356839400250e-15 PASS
Multipoles [step 0] -9.533494599225229e-16 -8.908015926463452e-16 4.090000000000000e-15 -6.254786727617767e-17 PASS
Multipoles [step 20] -1.265509664058039e-01 -1.265509664058046e-01 4.850000000000000e-15 6.661338147750939e-16 PASS
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