Match Partiak charges 2 [step 100]
Commits >
Commit fe1e2fbde8e2f64defe360a8f89092b8d1773e8d >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 14-absorption-spinors.02-td.inp
Value | Reference | Precision | Status |
5.005762905434363e-01 | 5.005762905436786e-01 | 1.220000000000000e-12 | PASS |
Command: LINEFIELD(td.general/partial_charges, -1, 4)