Match Partial charge 3
Commits >
Commit d48128afc066bfe2b1bb5979f9ee62249e46c834 >
Run spack_foss-2023a_mpi_debug >
Input 33-cg.01-orthogonalize_all.inp
| Value | Reference | Precision | Status |
| 9.600000000000000e-01 | 9.550000000000000e-01 | 4.780000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 4)