Match Partial charge 5
Commits >
Commit 1d082993d3bad72c6bb5f6456239111dd26ba4bd >
Run foss-cmake-zen4: [foss2023a-serial, foss-min] >
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)