Match Partial charge 3
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run intel-serial-debug: [intel2023a-serial] >
Input 33-cg.02-additional_terms.inp
| Value | Reference | Precision | Status |
| 9.690000000000000e-01 | 9.550000000000000e-01 | 4.780000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 4)