Releases: sunqm/libcint
Releases · sunqm/libcint
Libcint 4.1.2
- Fix a bug due to significant digits of float128 in the core Fmt integrals
Libcint 4.1.1
Fix bug in Boys function evaluation kernel of short-range Coulomb integrals
Libcint 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
Libcint 4.0.7
- Fix bug in rys_roots when R_dsmit fails to find all roots
Libcint 4.0.6
- Fix return value bug in rysroots
Libcint 4.0.5
- Fix prescreening bug in int3c2e
Libcint 4.0.4
- Fix cache size bug in int3c1e
Libcint 4.0.3
- Fix memory allocation bug in int3c1e
- Improve macro MALLOC_INSTACK
Libcint 4.0.2
- Fix function typedef bug in include/cint_funcs.h
Libcint 4.0.1
Update cmake configs and docs