Match Multipoles [step 20]
Commits >
Commit 0eb882d93dcc47f8554e98f5f256d6c6053dae9c >
Run spack_foss-2022a_serial_min >
Input 14-fullerene_unpacked.03-td-packed.inp
Value | Reference | Precision | Status |
-2.020317121184182e+00 | -2.020315146839614e+00 | 5.140000000000000e-06 | PASS |
Command: LINEFIELD(td.general/multipoles, -1, 4)