Input 14-fullerene_unpacked.03-td-packed.inp

Commits > Commit 224605379ecf56495eac19edf712806ff1f57d89 > Run foss_cmake: [foss2022a-mpi, foss-full-mpi]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184216450128300e+02 -3.184216450128310e+02 1.570000000000000e-11 9.663381206337363e-13 PASS
Energy [step 20] -3.184094654954769e+02 -3.184094654954693e+02 5.150000000000000e-11 -7.617018127348274e-12 PASS
Multipoles [step 0] -1.206858564935992e-03 -1.211520628226222e-03 9.480000000000001e-06 4.662063290229940e-06 PASS
Multipoles [step 20] -2.020306500685200e+00 -2.020306920872538e+00 1.600000000000000e-06 4.201873378129051e-07 PASS
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