Match Partial charge 35
Commits >
Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 >
Run cmake_foss_2022a_min_serial >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
4.000000000000000e+00 | 4.000000000000000e+00 | 1.000000000000000e-01 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 36)