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Pull requests: evangelistalab/forte

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Pull requests list

Initial work on separating AVAS from ASET
#441 opened Jan 23, 2025 by fevangelista Loading…
9 tasks
Rework JK builder
#435 opened Dec 29, 2024 by fevangelista • Draft
9 tasks
Integral / cumulant export APIs
#429 opened Nov 18, 2024 by brianz98 Loading…
4 of 11 tasks
OMP parallelize sim_trans_impl
#417 opened Sep 24, 2024 by brianz98 Loading…
1 task done
Add block2 tests/examples
#413 opened Sep 18, 2024 by brianz98 • Draft
1 of 3 tasks
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
1
FCI and GENCI initial core guess determinants for Davidson-Liu solver
#377 opened Jan 29, 2024 by marink2 Loading…
10 tasks done
5
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
1
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
9
Doc/improvements for ExternalActiveSpaceMethod
#327 opened May 4, 2023 by RenkeHuang Loading…
5 of 6 tasks
2
B-MRPT2
#314 opened Feb 4, 2023 by lcyyork • Draft
9 tasks
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