Input 14-fullerene_unpacked.02-td-unpacked.inp

Commits > Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc > Run cuda: [foss2022a-cuda-mpi, ci-foss-full-mpi-omp-cuda]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184216450128283e+02 -3.184216450128310e+02 8.130000000000000e-12 2.671640686457977e-12 PASS
Energy [step 20] -3.184094654954781e+02 -3.184094654954693e+02 3.380000000000000e-11 -8.810729923425242e-12 PASS
Multipoles [step 0] -1.206906602700786e-03 -1.211520628226222e-03 8.480000000000000e-06 4.614025525436155e-06 PASS
Multipoles [step 20] -2.020306521475244e+00 -2.020306920872538e+00 1.600000000000000e-06 3.993972943483470e-07 PASS
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