Match Partial charge 25
Commits >
Commit 45adf9b0e5ec0c590d65885bc40efffc0d377767 >
Run foss-serial-full: [foss2023b-serial] >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
4.046000000000000e+00 | 4.045000000000000e+00 | 2.020000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 26)