Match Partial charge 60
Commits >
Commit ea6affb390844fd1d159151b43e705a091215c1a >
Run spack_foss-2023a_serial_omp >
Input 10-fullerene.01-gs.inp
| Value | Reference | Precision | Status |
| 3.999000000000000e+00 | 3.998000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 61)