Match Partial charge 55
Commits >
Commit 4eed2c655b9f478fca43a397c5feb863f7436add >
Run cmake_foss_2022a_min_mpi >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
4.001000000000000e+00 | 4.001000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 56)