Match Partial charge 5
Commits >
Commit 16a288d93f4684890591c6dab8ffeadb82c84e9a >
Run foss_autotools: [foss2023b-serial] >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
4.865000000000000e+00 | 4.867000000000000e+00 | 2.430000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 6)