Match Partial charge 25
Commits >
Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 >
Run foss-ppc: [foss2022a-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)