Match Partial charge 35
Commits >
Commit 85779d3dd9ec6e18544835020e079bae8c405b87 >
Run cmake_foss_2022a_full_serial >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
5.971000000000000e+00 | 5.971000000000000e+00 | 2.990000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 36)