Match Partial charge 2
Commits >
Commit c1843387c3c25bf42356cee40f04165a0aff5f6f >
Run cuda-serial: [foss2022a-cuda-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, 3)