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buildservice-autocommit accepted request 1126735 from Dirk Mueller's avatar Dirk Mueller (dirkmueller) (revision 4) 
baserev update by copy to link target
Dirk Mueller's avatar Dirk Mueller (dirkmueller) committed (revision 3) 
- drop fix_control_reaches_end_of_non-void_function.patch
  (upstream)
Dirk Mueller's avatar Dirk Mueller (dirkmueller) committed (revision 2) 
- 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
Dirk Mueller's avatar Dirk Mueller (dirkmueller) committed (revision 1)
Displaying all 4 revisions
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