Match Partial charge 60
Commits >
Commit 995bec41f97239ed4859b75e5397558b96cd16ab >
Run spack_intel-2022a_impi_omp >
Input 10-vdw_d3_dna.01-gs_novdw.inp
| Value | Reference | Precision | Status |
| 9.990000000000000e-01 | 9.990000000000000e-01 | 5.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 61)