Match Partial charge 45
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run foss_cmake: [foss2022a-serial, foss-min] >
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)