Match Partial charge 5
Commits >
Commit a207e10cd726e9ee7bae9ea565d18a80e5fdcb20 >
Run intel_autotools: [intel2023a-serial] >
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)