Match Partial charge 50
Commits >
Commit c68f907d5c2dd67e7cea53ae6c080e7ec198375a >
Run intel-2022a >
Input 10-vdw_d3_dna.01-gs_novdw.inp
| Value | Reference | Precision | Status |
| 9.970000000000000e-01 | 9.300000000000000e-01 | 4.650000000000000e-01 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 51)