Closed dependabot[bot] closed 1 year ago
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Bumps pyscf from 2.2.1 to 2.3.0.
Release notes
Sourced from pyscf's releases.
Changelog
Sourced from pyscf's changelog.
Commits
fc9995c
Release 2.3 (#1786)7a9a415
Fix B3LYP functional. (#1481)06fd775
Allow Gaussian MM charges (#1677)db4c665
Reset CASSCF stepsize scheduler in kernel (#1763)73cf949
Bug fix for PBC DF (#1770)55f2374
update fci_slow.contract_2e to accept cached link index (#1780)35d3799
Implementation of APC active space selection (#1734)10ccd82
Optimize RSDF, RSJK methods and cleanups (#1622)0b32e31
Parsing of command line arguments disabled by default (#1673)9127d5b
Remove deprecated keyword from scipy.linalg.solve (#1771)Dependabot will resolve any conflicts with this PR as long as you don't alter it yourself. You can also trigger a rebase manually by commenting
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