Match Partial charges 1 [step 0]
Commits >
Commit 84a224bff1cd011cf170e791fd9a54d358367d33 >
Run intel_mpi_omp_autotools: [intel2022a-mpi] >
Input 14-absorption-spinors.02-td.inp
Value | Reference | Precision | Status |
4.995525530890578e-01 | 4.995525530893803e-01 | 1.220000000000000e-12 | PASS |
Command: LINEFIELD(td.general/partial_charges, -101, 3)