Releases: sunqm/qcint
Releases · sunqm/qcint
Libcint 5.1.7
Add boundary check for CINTOpt
Libcint 5.1.5
- Add new integrals
- int1e_r4:
< i | r^4 | j >
- int3c1e_ip1:
< \nabla i j | k >
- int1e_r4:
Libcint 5.1.3
- Fix cart2sph transformation bugs for int1e_grids
- Add the missing cart2sph function for l=15
Libcint 5.1.2
- 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>
Libcint 5.1.1
- Fix integer overflow in gto_norm
Libcint 5.1.0
- Update cint.h to make CINTEnvVars closed to the definition in libcint
Libcint 5.0.0
- 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
Libcint 4.4.6
- Fix uninitialized variables in rys_roots
Libcint 4.4.5
- Fix Rys-polynomial roots for SSE3 instructions
Libcint 4.4.4
- Fix Cartesian-spherical and Cartesian-spinor transformation coefficients