Match Partial charges 1 [step 0]
Commits >
Commit fe1e2fbde8e2f64defe360a8f89092b8d1773e8d >
Run foss-mpi-debug: [foss2023a-mpi] >
Input 14-absorption-spinors.02-td.inp
Value | Reference | Precision | Status |
4.995525530895059e-01 | 4.995525530893803e-01 | 1.220000000000000e-12 | PASS |
Command: LINEFIELD(td.general/partial_charges, -101, 3)