AArch64 | |
ppc64le | |
s390x | |
x86-64 |
- 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.
- Update to version 4.0.7. * Fix bug in rys_roots when R_dsmit fails to find all roots.
- 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
- Clean up spec file.
- Fix devel dependency.
- Initial package release.