Match Partial charge 2
Commits >
Commit 32c00845502bbc3ac64555e3c727792a7ab72a6a >
Run cmake_foss_2022a_full_serial >
Input 20-eigensolver.05-rmmdiis.inp
| Value | Reference | Precision | Status |
| 9.610000000000000e-01 | 9.610000000000000e-01 | 4.810000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 3)