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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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4-RDM
#411
shuhangli98
opened
2 days ago
0
Fix #409 : Managing Psi Dependencies and Options
#410
JonathonMisiewicz
opened
4 days ago
4
`psi::Process::environment.molecule()` Incorrect
#409
JonathonMisiewicz
opened
5 days ago
0
Update README.md
#408
JonathonMisiewicz
closed
1 week ago
0
Consider adopting nanobind
#407
fevangelista
opened
1 week ago
0
Final (?) block2 fix and GHA improvements
#406
brianz98
closed
1 week ago
0
Add genuine analytic DF-MCSCF gradients
#405
lcyyork
closed
1 week ago
4
Archiving spinorbital MR-LDSRG(2)
#404
brianz98
closed
1 week ago
2
Fix failing Block2 tests
#403
brianz98
closed
1 week ago
0
Enable adaptive RSC threshold
#402
brianz98
closed
1 week ago
1
Fix failing tests due to recent Psi4 update
#401
brianz98
closed
2 weeks ago
0
DMRG tests not passing in GHA but passing locally
#400
brianz98
closed
1 month ago
4
Enable non-Hermitian MR-LDSRG(2)
#399
brianz98
closed
1 month ago
5
Implement functions to manipulate second quantized operators
#398
fevangelista
closed
1 day ago
4
Forte proofs corrections
#397
fevangelista
closed
1 month ago
20
Minor Changes to DMRG(Block2)
#396
lcyyork
opened
1 month ago
2
Pass new arguments for `SemiCanonical` in `prepare_ints_rdms`
#395
brianz98
closed
1 month ago
0
make_active_space_ints produces segmentation fault
#394
brianz98
closed
1 month ago
3
GHA for block2
#393
brianz98
closed
1 month ago
0
Change semi_canonicalize.cc printing
#392
lcyyork
closed
2 months ago
0
Fix for the pyscf import error
#391
shuhangli98
closed
2 months ago
0
fc_mcscf PR (for comparison)
#389
fevangelista
closed
4 months ago
0
Rework MCSCF into the Standard Workflow
#388
fevangelista
closed
4 months ago
2
Update version of Forte to 0.3.0
#387
fevangelista
closed
4 months ago
0
Improvements to the `Sparse` classes
#386
fevangelista
closed
4 months ago
1
Block2 DMRG Solver
#385
hczhai
closed
2 months ago
7
Reset DIIS in DSRG
#384
lcyyork
closed
4 months ago
1
fix external solver after module change
#383
lcyyork
closed
5 months ago
0
add referece calculated by forte unchanged to compare results
#382
shiyuDong-bnu
closed
5 months ago
0
Laplace-transformed DSRG-MRPT2
#381
shuhangli98
opened
5 months ago
0
Buildconda
#380
loriab
closed
4 months ago
0
Spectra file dump feature
#379
marink2
opened
7 months ago
0
Fix bitwise_operations.cc to address return value inconsistency
#378
marink2
closed
4 months ago
0
FCI and GENCI initial core guess determinants for Davidson-Liu solver
#377
marink2
opened
7 months ago
1
ACI disabled in the PSI-4 plugin?
#376
chburger
opened
7 months ago
1
Improve wavefunction post-processing
#375
jeffschriber
opened
7 months ago
0
Update licensing
#374
fevangelista
closed
8 months ago
0
GHA2
#373
fevangelista
closed
4 months ago
0
fix casscf-1 c1
#372
lcyyork
opened
9 months ago
1
PySCF interface for Forte
#371
brianz98
closed
3 months ago
5
Conver the options to a yaml file
#370
fevangelista
closed
4 months ago
0
yaml file initial commit
#369
shuhangli98
closed
9 months ago
0
Manual
#368
fevangelista
opened
9 months ago
0
Fix Manual
#367
fevangelista
closed
9 months ago
0
renamed rhf test
#366
marink2
closed
9 months ago
0
Convert header guards to use `#pragma once`
#365
fevangelista
closed
9 months ago
0
Add basic EPICTensors implementation
#364
fevangelista
closed
9 months ago
0
Moremodules
#363
fevangelista
closed
9 months ago
0
Compiling problem
#362
vvp-nsk
closed
9 months ago
1
Introducing Modules
#361
fevangelista
closed
9 months ago
0
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