Match Partial charge 30
Commits >
Commit 4104ea28a473696fae3c7fad4406bf86d5f6976c >
Run foss-mpi-min: [foss2022a-mpi] >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
4.048000000000000e+00 | 4.064000000000000e+00 | 2.030000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 31)