Match Partial charge 10
Commits >
Commit 38482cef62d365e560a63bc8ea1cbd919ea4f861 >
Run foss-mpi-min: [foss2022a-mpi] >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
4.905000000000000e+00 | 4.904000000000000e+00 | 2.450000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 11)