Match Partial charge 2
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Run spack_intel-2023a_serial_omp >
Input 33-cg.03-cg_direction.inp
| Value | Reference | Precision | Status |
| 9.600000000000000e-01 | 9.550000000000000e-01 | 4.780000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)