Match Partial charge 55
Commits >
Commit b1773e3237a9e3fe1d68ecd7146c17ebbd95a961 >
Run GCI_foss_autotools: [foss2023a-serial] >
Input 10-vdw_d3_dna.01-gs_novdw.inp
| Value | Reference | Precision | Status |
| 9.960000000000000e-01 | 9.960000000000000e-01 | 4.980000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 56)