- update to 6.1.2
* Update libcint version tag to align with the new release of qcint
- update to 6.1.1
* Add explicit SSE3 instructions for int2e
- update to 6.1
* Add new integral int1e_grids_ipip
- update to 6.0
* 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
- add cmake-fix-wrong-cint-version-patch.patch to fix wrong library
version in CMakeLists.txt
OBS-URL: https://build.opensuse.org/request/show/1291136
OBS-URL: https://build.opensuse.org/package/show/science/libcint?expand=0&rev=10
- 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
OBS-URL: https://build.opensuse.org/request/show/1126735
OBS-URL: https://build.opensuse.org/package/show/science/libcint?expand=0&rev=8
- 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.
OBS-URL: https://build.opensuse.org/request/show/901591
OBS-URL: https://build.opensuse.org/package/show/science/libcint?expand=0&rev=7
