Releases: sunqm/libcint
Releases Β· sunqm/libcint
Release v6.1.2
Libcint 6.1.1
- Add explicit SSE3 instructions for int2e
Libcint 6.1.0
Add new integral int1e_grids_ipip
Libcint 6.0.0
- Add polynomial root finder using the eigenvalue algorithm
- Fitting Rys roots of SR integrals with Chebyshev polynomials
- Remove GTG integrals which are erroneous in previous versions
- Remove coulerf integrals which has been covered by regular int2e functions
Libcint 5.5.0
- Fix memory leak issue in int4c1e
- New integrals related to LRESC
- Supports Gaussian charge model for int1e_grids
Libcint 5.4.0
Add constant PTR_FRAC_CHARGE for QM/MM interface in PySCF
Libcint 5.3.0
- Improves rys-roots numerical stability in the near-zero limit
Libcint 5.2.2
- Improves rys-roots finder accuracy
- Filters some warning messages in rys-roots function
Libcint 5.2.1
- Improve error handling for SR-ERI integrals
Libcint 5.2.0
- Optimize short-range ERI integral screening