Match Partial charge 50
Commits >
Commit 332f9cd714e196a805e42e2741bfb36d81a9f700 >
Run foss-serial-min: [foss2022a-serial] >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
9.960000000000000e-01 | 9.300000000000000e-01 | 4.650000000000000e-01 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 51)