Match Partial charge 55
Commits >
Commit 7340c9717a63bb8691685536ab6dd281015dc066 >
Run foss_autotools: [foss2023b-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)