Match Partial charge 1
Commits >
Commit 22a7b3628f7ddff53691f80b422d9224cf7a2498 >
Run spack_foss-2023a_mpi_omp >
Input 33-cg.01-orthogonalize_all.inp
| Value | Reference | Precision | Status |
| 4.159000000000000e+00 | 4.179000000000000e+00 | 2.090000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)