Match Partial charge 25
Commits >
Commit 0043f87fd1086e2efddabd576c31b5184d964264 >
Run cmake_foss_2022a_full_mpi >
Input 10-vdw_d3_dna.01-gs_novdw.inp
Value | Reference | Precision | Status |
4.045000000000000e+00 | 4.045000000000000e+00 | 2.020000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 26)