Match X Coordinate Atom 1 [step 20]
Commits >
Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 >
Run spack_foss-2022a_cuda_mpi_omp >
Input 19-td_move_ions.02-td.inp
Value | Reference | Precision | Status |
-2.647670098006949e-01 | -2.647670098006950e-01 | 1.320000000000000e-14 | PASS |
Command: LINEFIELD(td.general/coordinates, -1, 3)