Match Partial charge 1
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_min_autotools: [foss2023b-serial] >
Input 33-cg.01-orthogonalize_all.inp
Value | Reference | Precision | Status |
4.123000000000000e+00 | 4.123000000000000e+00 | 2.060000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 2)