Match Partial charge 25
Commits >
Commit 3874475d54e6d4931162c1a62f5667add8f8f561 >
Run intel_autotools: [intel2023a-serial] >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.997000000000000e+00 | 3.997000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 26)