Match Partial charge 55
Commits >
Commit 9a893b9dbe73f1d3f49cd24e2707361da541a5ca >
Run foss-min-parallel: [foss2023b-mpi] >
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)