Match Partial charge 1
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_mpi_autotools: [foss2023a-mpi] >
Input 33-cg.01-orthogonalize_all.inp
| Value | Reference | Precision | Status |
| 4.123000000000000e+00 | 4.123000000000000e+00 | 2.060000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)