Match Partial charge 15
Commits >
Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a >
Run foss-cmake-zen4: [foss2023a-serial, foss-full] >
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)