Match Partial charge 25
Commits >
Commit babc485c55a2119a415aa56305cb49f398154cb7 >
Run spack_intel-2022a_impi_omp >
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)