Match Partial charge 4
Commits >
Commit f4bc596bdcf3afff33b833944576bfd5457df1bc >
Run intel_mpi_omp_autotools: [intel2022a-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, 5)