Match Partial charge 3
Commits >
Commit adb0a770f40b5954f8a07de2fe2e63c9718fe526 >
Run cmake_foss_2022a_min_mpi >
Input 33-cg.01-orthogonalize_all.inp
| Value | Reference | Precision | Status |
| 9.600000000000000e-01 | 9.550000000000000e-01 | 4.780000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 4)