Advertised Version: 1.8.2 Continuous Version: 1.8.2 Release Date: 3 October 2023 Documentation: https://psicode.org/psi4manual/1.8.x/ . Use #2965 for build documentation. Availability: Public, GitHub source, CMake build, DNE Conda binary installers, DNE Docker Span: 7 PRs
- #3019 still using pydantic v1 API, but now tolerant of a v1 or v2 pydantic environment. (this was already present by patch in build
_2of v1.8.1 on conda-forge.)
- #3039 adds fitted SAP guess described in J. Chem. Phys. 152, 144105 (2020) and accessed through
set guess sapgau
- #3013 allow passing
priorityto QCArchive-enabled runs in the distributed driver. Works with
- #3037 fixes
BasisSet.n_prim_per_shell_never populated and refactors shell formation in
- #3043/#3044 fixes bug resulting in
timer.datfiles, especially on systems with long hostnames.
- #3048 fixes links to QCElemental and QCEngine functions in documentation.