Match Partial charge 1
Commits >
Commit 045d20dc05e1b42e239243cb04e8ce4d1aad770d >
Run intel-serial: [intel2023a-serial] >
Input 24-o2-spin.01-gs.inp
Value | Reference | Precision | Status |
6.000000000000000e+00 | 6.000000000000000e+00 | 1.000000000000000e-01 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)