Match Partial charge 15
Commits >
Commit 370adda2f0c97e5430265c4ac8d8eb630d5276fb >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi] >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
4.131000000000000e+00 | 4.130000000000000e+00 | 2.070000000000000e-01 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 16)