Match Partial charge 60
Commits >
Commit daa93de2f371acc02c8ba320d7b5759725cfd1f4 >
Run foss-2022a_opt >
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)