Match Partial charge 30
Commits >
Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 >
Run cmake_foss_2022a_min_mpi >
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, 31)