- update to 5.5.0:
* Fix memory leak issue in int4c1e
* Add polynomial root finder with eigenvalue algorithm
* Fitting Rys roots of SR integrals with Chebyshev polynomials
* New integrals related to LRESC
* Supports Gaussian model for int1e_grids
* Add constant PTR_FRAC_CHARGE for QM/MM interface in pyscf
* Improves rys-roots numerical stability in the near-zero limit
* Improves rys-roots finder accuracy
* Improve error handling for SR-ERI integrals
* Optimize SR-ERI integral screening
* Fix approx_log bug for non-x86 architecture
* Fix integer overflow error in cintopt initialization
* Boundary check when initializing CINTOpt
* Add 4-center 1-electron intergral int4c1e
* New integral int3c1e_ip1
* New integral int1e_r4
* Missing cart2sph function for l=15
* Fix cint3c1e_cart integral
* Fix integer overflow in gto_norm function
* Update cint.h to make CINTEnvVars closed to the definition in
qcint
* Improve the cartesian-spinor transformation
* Remove the dependency to BLAS library
* Update the header file cint.h
* Update the drivers for cint2e, cint3c2e, cint3c1e, cint2c2e
* Fix uninitialized variables in rys_roots
* Fix Cartesian-spherical and Cartesian-spinor transformation
coefficients
* Fix divide-by-0 bug