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Pull requests: troyvvgroup/quemb

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Pull requests list

add force embedding to numerical gradient framework
#272 opened Jun 9, 2026 by cariluo Contributor Loading…
37
Fix atol for failing localization tests to reflect BE optimization tolerance.
#270 opened Jun 2, 2026 by mscho527 Member Loading…
Sparse DF for PBC
#260 opened Mar 12, 2026 by mscho527 Member • Draft
3 of 7 tasks
Averaged excited state EOM-IP-BE
#256 opened Jan 22, 2026 by aalexiu • Draft
Print energy whenever evaluated
#254 opened Dec 9, 2025 by lweisburn Contributor • Draft
Gradients clean
#252 opened Dec 2, 2025 by cariluo Contributor • Draft
1 task
1
Efficient CNOs
#238 opened Oct 21, 2025 by lweisburn Contributor • Draft
Updating fragment SCF routine
#237 opened Oct 21, 2025 by lweisburn Contributor • Draft
Manipulate chem pot
#223 opened Oct 1, 2025 by mcocdawc Contributor Loading…
1
Adding CNOs to QuEmb
#217 opened Aug 22, 2025 by lweisburn Contributor • Draft
1
Fix: maintain consistency for HF reference (w/ or w/o BE potential) high priority add to high priority issues
#201 opened Aug 12, 2025 by mscho527 Member • Draft
@mscho527 @lweisburn
1
Improve doc
#181 opened Jul 15, 2025 by mcocdawc Contributor Loading…
UBE update
#166 opened May 14, 2025 by lweisburn Contributor Loading…
Modifying RDM full basis function
#155 opened Apr 23, 2025 by lweisburn Contributor • Draft
Build excited state solver
#149 opened Apr 15, 2025 by bhanscam Contributor • Draft
Clean up and fix periodic IAO code
#125 opened Mar 13, 2025 by lweisburn Contributor • Draft
Fixes for DMRG test suite and related bugs.
#96 opened Jan 22, 2025 by ShaunWeatherly Contributor Loading…
85
ProTip! Updated in the last three days: updated:>2026-06-27.