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Revisions of libcint

buildservice-autocommit accepted request 1126973 from Dirk Stoecker's avatar Dirk Stoecker (dstoecker) (revision 9) 
baserev update by copy to link target
Dirk Stoecker's avatar Dirk Stoecker (dstoecker) accepted request 1126735 from Dirk Mueller's avatar Dirk Mueller (dirkmueller) (revision 8) 
- 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
Atri Bhattacharya's avatar Atri Bhattacharya (badshah400) accepted request 901591 from andy great's avatar andy great (andythe_great) (revision 7) 
- Update to version 4.4.1.
  * Fix bugs in int1e_grids for attenuated Coulomb operators
- Updates for version 4.4.0.
  * Fix bugs in c2s transfomration for int1e_grids
  * Fix bugs int1e_grids code generator
  * Refactor cart2sph
  * Refactor int1e drivers
- Updates for version 4.3.0.
  * Add new integral type int1e_grids
  * Fix cache size type
- Updates for version 4.1.3.
  * Fix memory address int32 overflow for heavily contracted basis
- Updates for version 4.1.2 .
  * Fix a bug due to significant digits of float128 in the core Fmt integrals
- Updates for version 4.1.1.
  * Fix bug in short-range Coulomb core integrals
- Updates for version 4.1.0.
  * Add new Rys roots and weights algorithm
    * Improve integral accuracy for high angular momentum basis
    * Improve integral accuracy for short-range Coulomb integrals
  * Add supports of 2-e integrals up to l=15
- Add patch fix_control_reaches_end_of_non-void_function.patch
  Fix error control reaches end of non-void function in int3c2e.c
  Patch fixed upsteam.
buildservice-autocommit accepted request 862750 from Atri Bhattacharya's avatar Atri Bhattacharya (badshah400) (revision 6) 
baserev update by copy to link target
Atri Bhattacharya's avatar Atri Bhattacharya (badshah400) accepted request 862715 from andy great's avatar andy great (andythe_great) (revision 5) 
Update to version 4.0.7.
buildservice-autocommit accepted request 851089 from Dirk Stoecker's avatar Dirk Stoecker (dstoecker) (revision 4) 
baserev update by copy to link target
Dirk Stoecker's avatar Dirk Stoecker (dstoecker) accepted request 850734 from andy great's avatar andy great (andythe_great) (revision 3) 
Update to version 4.0.6
Dominique Leuenberger's avatar Dominique Leuenberger (dimstar_suse) accepted request 833008 from andy great's avatar andy great (andythe_great) (revision 2) 
initialized devel package after accepting 833008
Atri Bhattacharya's avatar Atri Bhattacharya (badshah400) accepted request 832366 from andy great's avatar andy great (andythe_great) (revision 1) 
Clean up spec file.
xcfun was also done the same.
Displaying all 9 revisions
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