Match Partial charge 5
Commits >
Commit 6dda27ed08cd9fd2b2f861e6109ead2bd6d3cd56 >
Run foss_mpi_autotools: [foss2023a-mpi] >
Input 10-vdw_d3_dna.01-gs_novdw.inp
| Value | Reference | Precision | Status |
| 4.865000000000000e+00 | 4.867000000000000e+00 | 2.430000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 6)