Releases: sunqm/qcint
Releases · sunqm/qcint
Libcint 4.0.3
- Bugfix
- uninitialized buffers for short-range Coulomb integrals
Libcint 4.0.2
- Fix function typedef bug in include/cint_funcs.h
Libcint 4.0.1
Fix compiling errors for AVX and SSE3 instructions
Libcint 3.1.1
- Add p orbital convention (py, pz, px)
Libcint 3.0.20
A placeholder for 3.0.20 release. The same to qcint release 3.0.19
Libcint 3.0.19
Support fractional nuclear charges
Libcint 3.0.18
- Fix undefined varialbe in nabla-rinv integral
- Add integral < i | nabla-rinv | j >
Libcint 3.0.17
- 2nd order derivatives for 3c2e integral
- 3c2e and 2c2e integrals for Gaussian type geminals
Libcint 3.0.15
- F12 second derivatives
- Add integrals for Gaussian type geminals
- Add 4th order derivatives of 2e integrals
Libcint 3.0.14
Add F12 integral derivatives
Bugfix for int3c1e_rinv type integrals