GCP¶
Input File |
Description |
---|---|
HF3C fd and analytical frequency |
|
Sample r2scan-3c H2O computation |
|
DFT (hybrids) + GCP test of implementations in: hybrid_superfuncs.py |
|
Verify HF-3c method over S22 |
|
HF3C fd and analytical gradient |
|
Sample B97-3c H2O computation |
|
validate PBEh-3c against the literature |