Match Partial charge 2
Commits >
Commit 68887e7ef149674fa38f143e8d88a44249e6d867 >
Run intel_autotools: [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, 3)