Match Partial charge 30
Commits >
Commit 648faf2c6f79684bb4504aeb1ba8c9cb14e3b2f7 >
Run cmake_foss_2022a_min_mpi >
Input 10-vdw_d3_dna.01-gs_novdw.inp
| Value | Reference | Precision | Status |
| 4.044000000000000e+00 | 4.064000000000000e+00 | 2.030000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 31)