Releases: sunqm/libcint
Releases · sunqm/libcint
Libcint 4.4.6
- Fix uninitialized variables in rys_roots
Libcint 4.4.5
A tag to match qcint version 4.4.5. This version is the same to release v4.4.4
Libcint 4.4.4
- Fix Cartesian-spherical and Cartesian-spinor transformation coefficients
Libcint 4.4.3
- Fix divide-by-0 bug
- Improve performance of quadruple precision rys-roots function
Libcint 4.4.2
- Improve short-range ERI Rys-roots accuracy
Libcint 4.4.1
- Fix bugs in int1e_grids for attenuated Coulomb operators
Libcint 4.4.0
- Add new integral type int1e_grids
- Fix cache size type
- Fix bugs in c2s transfomration for int1e_grids
- Fix bugs int1e_grids code generator
- Refactor cart2sph
- Refactor int1e drivers
Libcint 4.3.0
- Add new integrals int1e_grids for operators 1/r_g (r_g is a list of grids)
- Fix integer overflow in cache_size for high order derivatives of high angular momentum basis
Libcint 4.2.0
- Change for all integral functions the return type from int to size_t
Libcint 4.1.3
- Fix memory address int32 overflow for heavily contracted basis (e.g. 4th order derivatives of [6f] basis)