Match Multipoles [step 20]
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_autotools: [foss2022a-serial] >
Input 14-fullerene_unpacked.03-td-packed.inp
Value | Reference | Precision | Status |
-2.020306723575932e+00 | -2.020306920872538e+00 | 1.600000000000000e-06 | PASS |
Command: LINEFIELD(td.general/multipoles, -1, 4)