Match Partial charge 45
Commits >
Commit a207e10cd726e9ee7bae9ea565d18a80e5fdcb20 >
Run intel_omp_autotools: [intel2022a-serial] >
Input 10-vdw_d3_dna.01-gs_novdw.inp
| Value | Reference | Precision | Status |
| 1.006000000000000e+00 | 1.007000000000000e+00 | 5.030000000000000e-03 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 46)