Match Partial charge 4
Commits >
Commit 85779d3dd9ec6e18544835020e079bae8c405b87 >
Run cmake_foss_2022a_full_mpi >
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, 5)