Match Partial charge 35
Commits >
Commit 7674d3f014e9528d45a88358f14173f28daae041 >
Run intel_autotools: [intel2023a-serial] >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
5.973000000000000e+00 | 5.971000000000000e+00 | 2.990000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 36)