Match Partial charge 60
Commits >
Commit d89ed1adec8f63937926022ba961c15ddb98b66b >
Run foss-mpi-debug: [foss2023a-mpi] >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.999000000000000e+00 | 3.999000000000000e+00 | 2.000000000000000e-02 | PASS |
Command: GREPFIELD(static/info, 'Partial ionic charges', 3, 61)