Match Partial charge 60
Commits >
Commit 235dfa244e23366de619648bda83df5634b8df23 >
Run intel_autotools: [intel2023a-serial] >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.999000000000000e+00 | 3.999000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 61)