Match Partial charges 1 [step 0]
Commits >
Commit 4ba8d1ba4a84cee910627f85cb1ba733d430c04d >
Run foss-mpi-min: [foss2022a-mpi] >
Input 14-absorption-spinors.02-td.inp
Value | Reference | Precision | Status |
4.995525530895056e-01 | 4.995525530893803e-01 | 1.220000000000000e-12 | PASS |
Command: LINEFIELD(td.general/partial_charges, -101, 3)