Input 15-electronic_system_restart.02-td_full.inp

Commits > Commit f72050fe95608e153e1887ef05d1ad42dc082fde > Run cuda-mpi-omp: [foss2022a-cuda-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766762e+01 -1.060686608766760e+01 1.060000000000000e-13 -1.776356839400250e-14 PASS
Energy [step 20] -1.060637353666430e+01 -1.060637353666430e+01 1.060000000000000e-13 -1.776356839400250e-15 PASS
Multipoles [step 0] -2.100218436662527e-15 -8.908015926463452e-16 4.090000000000000e-15 -1.209416844016181e-15 PASS
Multipoles [step 20] -1.265509664058025e-01 -1.265509664058046e-01 4.850000000000000e-15 2.053912595556540e-15 PASS
Compare to other inputs