Match Partial charge 35
Commits >
Commit 3186a8a51be7ad5a27ccff6e8e2901df0a16a559 >
Run GCI_foss_ppc_autotools: [foss2022a-serial] >
Input 10-vdw_d3_dna.01-gs_novdw.inp
| Value | Reference | Precision | Status |
| 5.973000000000000e+00 | 5.971000000000000e+00 | 2.990000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 36)