Match Partial charge 3
Commits >
Commit 9cd8be12b3755ae83838647d0fe27e1f4e47031c >
Run eb_foss-2022a_mpi >
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)