libcint

Update libcint version tag to align with the new release of qcint

• Add explicit SSE3 instructions for int2e

Add new integral int1e_grids_ipip

• 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

• Fix memory leak issue in int4c1e
• New integrals related to LRESC
• Supports Gaussian charge 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
• Filters some warning messages in rys-roots function

• Improve error handling for SR-ERI integrals

• Optimize short-range ERI integral screening

• Fix bug in approx_log bug for non-x86 architecture

• Fix integer overflow error in CINTOpt initialization

Add boundary check for CINTOpt

• Add 4-center 1-electron integral int4c1e

• Add new integrals
  • int1e_r4: < i | r^4 | j >
  • int3c1e_ip1: < \nabla i j | k >

• Add the missing cart2sph function for l=15

• Fix cint3c1e_cart integral (issue #67)
• Add new integrals
  <i | nabla nabla r | j>
  <i | nabla r nabla | j>
  <i | nabla nabla nabla 1/r | j>
  <i | nabla nabla 1/r nabla | j>

• Fix integer overflow in gto_norm

• Update cint.h to make CINTEnvVars closed to the definition in qcint

• Improve the cartesian-spinor basis transformation
• Remove the dependency to BLAS library
• Update the header file cint.h
• Update the drivers for cint2e, cint3c2e, cint3c1e, cint2c2e