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evangelistalab
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forte
http://www.evangelistalab.org
GNU Lesser General Public License v3.0
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Updated C++ standard to C++23.
#432
fevangelista
opened
2 days ago
0
Fix `prepare_forte_objects` and a tutorial
#431
brianz98
opened
4 days ago
1
SparseHamiltonian to SparseOperator
#430
brianz98
opened
4 days ago
0
Integral / cumulant export APIs
#429
brianz98
opened
1 week ago
0
New forte
#428
hrgrimsl
opened
3 weeks ago
0
Update math_structures.h
#427
lcyyork
closed
1 month ago
1
OMP-ed denominator related lines in spin-adapted MRDSRG
#426
lcyyork
closed
4 weeks ago
1
Update pymodule.py
#425
lcyyork
closed
1 month ago
2
Update block2_dmrg_solver.cc
#424
lcyyork
closed
1 month ago
0
Remix of PR #420
#423
fevangelista
closed
1 month ago
3
ForteCon 2024
#422
brianz98
opened
1 month ago
3
Always canonicalize core and virtual in MCSCF
#421
lcyyork
closed
4 weeks ago
2
New procedure for orthogonal orbitals
#420
lcyyork
closed
1 month ago
5
Rename EPICTensors -> ndarray. Cleanup code and add tests.
#419
fevangelista
closed
1 month ago
0
Simpleapi
#418
fevangelista
closed
1 month ago
0
OMP parallelize `sim_trans_impl`
#417
brianz98
opened
2 months ago
0
Add initial orbital guess for DMRG CI/SCF
#416
lcyyork
closed
4 weeks ago
3
Update disk_io.cc
#415
lcyyork
closed
2 months ago
0
Update math_structures.h
#414
lcyyork
closed
2 months ago
1
Add block2 tests/examples
#413
brianz98
opened
2 months ago
0
FNO DSRG
#412
lcyyork
closed
2 months ago
1
4-RDM
#411
shuhangli98
closed
1 week ago
1
Fix #409 : Managing Psi Dependencies and Options
#410
JonathonMisiewicz
closed
2 months ago
8
`psi::Process::environment.molecule()` Incorrect
#409
JonathonMisiewicz
closed
2 months ago
0
Update README.md
#408
JonathonMisiewicz
closed
2 months ago
0
Consider adopting nanobind
#407
fevangelista
opened
2 months ago
0
Final (?) block2 fix and GHA improvements
#406
brianz98
closed
2 months ago
0
Add genuine analytic DF-MCSCF gradients
#405
lcyyork
closed
2 months ago
4
Archiving spinorbital MR-LDSRG(2)
#404
brianz98
closed
2 months ago
2
Fix failing Block2 tests
#403
brianz98
closed
2 months ago
0
Enable adaptive RSC threshold
#402
brianz98
closed
2 months ago
1
Fix failing tests due to recent Psi4 update
#401
brianz98
closed
3 months ago
0
DMRG tests not passing in GHA but passing locally
#400
brianz98
closed
3 months ago
4
Enable non-Hermitian MR-LDSRG(2)
#399
brianz98
closed
3 months ago
5
Implement functions to manipulate second quantized operators
#398
fevangelista
closed
2 months ago
4
Forte proofs corrections
#397
fevangelista
closed
3 months ago
20
Minor Changes to DMRG(Block2)
#396
lcyyork
closed
2 months ago
4
Pass new arguments for `SemiCanonical` in `prepare_ints_rdms`
#395
brianz98
closed
4 months ago
0
make_active_space_ints produces segmentation fault
#394
brianz98
closed
4 months ago
3
GHA for block2
#393
brianz98
closed
4 months ago
0
Change semi_canonicalize.cc printing
#392
lcyyork
closed
5 months ago
0
Fix for the pyscf import error
#391
shuhangli98
closed
5 months ago
0
fc_mcscf PR (for comparison)
#389
fevangelista
closed
6 months ago
0
Rework MCSCF into the Standard Workflow
#388
fevangelista
closed
6 months ago
2
Update version of Forte to 0.3.0
#387
fevangelista
closed
7 months ago
0
Improvements to the `Sparse` classes
#386
fevangelista
closed
7 months ago
1
Block2 DMRG Solver
#385
hczhai
closed
5 months ago
7
Reset DIIS in DSRG
#384
lcyyork
closed
7 months ago
1
fix external solver after module change
#383
lcyyork
closed
7 months ago
0
add referece calculated by forte unchanged to compare results
#382
shiyuDong-bnu
closed
8 months ago
0
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