Match Partial charge 5
Commits >
Commit 917d830e9234ff154f8a96d6b6c157a89a03a450 >
Run intel_omp_autotools: [intel2023a-serial] >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
4.001000000000000e+00 | 4.001000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 6)