Changelog for
libcint4-4.4.1-8.3.x86_64.rpm :
* Thu Jun 17 2021 andythe_greatAATTpm.me- 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.
* Tue Jan 12 2021 andythe_greatAATTpm.me- Update to version 4.0.7.
* Fix bug in rys_roots when R_dsmit fails to find all roots.
* Thu Nov 12 2020 andythe_greatAATTpm.me- Update to version 4.0.6.
* Fix return value bug in rysroots- Update since 3.1.1.
* Fix prescreening bug in int3c2e
* Fix cache size bug in int3c1e
* Fix memory allocation bug in int3c1e
* Improve macro MALLOC_INSTACK
* Fix function typedef bug in include/cint_funcs.h
* Update cmake configs and docs
* API Change. PTR_LIGHT_SPEED is replaced with PTR_EXPCUTOFF. Integral screening parameter can be passed through env[PTR_EXPCUTOFF]
* Add short-range integrals for range-separation
* Handle linear dependency in Rys polynomial
* Avoid calling exit function
* Fri Sep 04 2020 andythe_greatAATTpm.me- Clean up spec file.
* Thu Sep 03 2020 andythe_greatAATTpm.me- Fix devel dependency.
* Tue Sep 01 2020 andythe_greatAATTpm.me- Initial package release.