Match Partial charge 3
Commits >
Commit 7674d3f014e9528d45a88358f14173f28daae041 >
Run intel_mpi_autotools: [intel2023a-mpi] >
Input 33-cg.03-cg_direction.inp
| Value | Reference | Precision | Status |
| 9.690000000000000e-01 | 9.550000000000000e-01 | 4.780000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 4)