Match Partial charge 20
Commits >
Commit eff5280d65f29f89ecacf7a6e9c2d06020a47460 >
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, 21)