Input 15-electronic_system_restart.02-td_full.inp

Commits > Commit 9c5e1a9ae4a97d24a493b8c6c0caa96edfef5d41 > Run foss-cmake-zen4: [foss2023a-serial, foss-full]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766758e+01 -1.060686608766760e+01 1.060000000000000e-13 1.953992523340276e-14 PASS
Energy [step 20] -1.060637353666431e+01 -1.060637353666430e+01 1.060000000000000e-13 -5.329070518200751e-15 PASS
Multipoles [step 0] 1.432747536334478e-15 -8.908015926463452e-16 4.090000000000000e-15 2.323549128980824e-15 PASS
Multipoles [step 20] -1.265509664058062e-01 -1.265509664058046e-01 4.850000000000000e-15 -1.554312234475219e-15 PASS
Compare to other inputs