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Pull requests: evangelistalab/forte

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Pull requests list

Always canonicalize core and virtual in MCSCF
#421 opened Oct 11, 2024 by lcyyork Loading…
7 of 8 tasks
New procedure for orthogonal orbitals
#420 opened Oct 7, 2024 by lcyyork Loading…
9 tasks done
OMP parallelize sim_trans_impl
#417 opened Sep 24, 2024 by brianz98 Loading…
1 task done
Add initial orbital guess for DMRG CI/SCF
#416 opened Sep 24, 2024 by lcyyork Loading…
9 tasks done
Add block2 tests/examples
#413 opened Sep 18, 2024 by brianz98 Draft
1 of 3 tasks
4-RDM
#411 opened Sep 13, 2024 by shuhangli98 Loading…
Laplace-transformed DSRG-MRPT2
#381 opened Mar 22, 2024 by shuhangli98 Draft
9 tasks
Spectra file dump feature
#379 opened Feb 2, 2024 by marink2 Loading…
9 tasks
FCI and GENCI initial core guess determinants for Davidson-Liu solver
#377 opened Jan 29, 2024 by marink2 Loading…
10 tasks done
Improve wavefunction post-processing v0.5.0
#375 opened Jan 25, 2024 by jeffschriber Loading…
6 of 9 tasks
fix casscf-1 c1
#372 opened Dec 14, 2023 by lcyyork Loading…
1 of 9 tasks
Manual
#368 opened Dec 13, 2023 by fevangelista Loading…
9 tasks
Adding CIS, CISD and other options for GAS-ACI calculations
#355 opened Oct 25, 2023 by huangm29 Loading…
8 tasks done
Doc/improvements for ExternalActiveSpaceMethod
#327 opened May 4, 2023 by RenkeHuang Loading…
5 of 6 tasks
B-MRPT2
#314 opened Feb 4, 2023 by lcyyork Draft
9 tasks
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