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 |