Match Partial charge 1
Commits >
Commit 7674d3f014e9528d45a88358f14173f28daae041 >
Run foss-serial-full: [foss2023a-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)