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quantumlib
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OpenFermion-PySCF
OpenFermion plugin to interface with the electronic structure package PySCF.
Apache License 2.0
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Implementation of Hamiltonian using natural orbitals
#67
NoniaVS
opened
1 year ago
0
Inconsistency in get_molecular_hamiltonian()
#66
mafaldaramoa
opened
1 year ago
2
2 tests fail
#65
yurivict
opened
2 years ago
0
Permission denied: '08fd403b-e30d-4e78-97d5-dcb570445762.hdf5' -> '/usr/local/lib/python3.9/site-packages/openfermion/testing/data/H2_sto-3g_singlet_0.7414.hdf5'
#64
yurivict
opened
2 years ago
0
'PyscfMolecularData' object has no attribute 'general_calculations'
#63
KurariJ
opened
2 years ago
0
Problem with active space feature in "generate_molecular_hamiltonian"
#62
hrgrimsl
opened
2 years ago
4
Unable to install using pip within Python 3.7.9 environment
#61
HatedFate
closed
2 years ago
4
Package breaks with latest h5py
#60
mpharrigan
closed
2 years ago
1
Update requirements.txt
#59
r-imai-quantum
closed
3 years ago
1
Delete unnecessary lines from ci.yml
#58
r-imai-quantum
closed
3 years ago
0
Remove pytest from install_requires
#57
r-imai-quantum
closed
3 years ago
5
Optional disable file saving when `run_pyscf`
#56
we-taper
opened
4 years ago
1
Updated openfermion imports
#55
obriente
closed
4 years ago
2
Replace travis with workflow ci
#54
ncrubin
closed
4 years ago
0
Testing with github actions
#53
ncrubin
closed
2 years ago
1
Return none spin summed rdms
#52
ncrubin
opened
4 years ago
0
Bring OF-psi4 into compliance with OF reorg
#51
ncrubin
closed
3 years ago
1
Set parse_arg option of pyscf.gto.mole.Mole.build to False
#50
kwkbtr
opened
4 years ago
0
RDM calculation not stored correctly in MolecularData
#49
rugantio
closed
5 years ago
2
Bump version to next dev version
#48
kevinsung
closed
3 years ago
1
citation_update
#47
babbush
closed
3 years ago
0
Add development scripts to facilitate packaging
#46
kevinsung
closed
5 years ago
1
Bump version to 0.4
#45
kevinsung
closed
5 years ago
7
scale ccsd t2 amplitudes for issue #43
#44
sunqm
closed
5 years ago
0
CC double excitation pre-factor convention
#43
vincentelfving
closed
5 years ago
1
OpenFermion issue #451
#42
sunqm
closed
5 years ago
0
Fix import error
#41
sunqm
closed
5 years ago
1
run_pyscf is broken
#40
kevinsung
closed
5 years ago
2
Example notebook raises warnings
#39
kevinsung
opened
6 years ago
1
run_pyscf does not work on PyscfMolecularData
#38
kevinsung
opened
6 years ago
2
Add wrapper to generate molecular Hamiltonian as InteractionOperator
#37
kevinsung
closed
6 years ago
0
version bump
#36
babbush
closed
6 years ago
3
Fix readme encoding issue
#35
kevinsung
closed
6 years ago
0
added authors to README/NOTICE
#34
babbush
closed
6 years ago
5
more tests!
#33
babbush
opened
6 years ago
0
Configuring Travis
#32
Strilanc
closed
6 years ago
0
add Pranav to README and NOTICE
#31
kevinsung
closed
6 years ago
1
Update version number and OpenFermion requirements
#30
jarrodmcc
closed
6 years ago
0
Travis CI config
#29
sunqm
closed
6 years ago
5
Continuous integration testing
#28
babbush
closed
6 years ago
1
Update pyscf wrapper
#27
sunqm
closed
6 years ago
18
updated reference
#26
babbush
closed
6 years ago
0
Updated authors
#25
babbush
closed
6 years ago
0
citation update
#24
babbush
closed
6 years ago
0
ImportError: No module named 'pyscf' but OpenFermion-PySCF is installed
#23
fernandodelaiglesia
closed
6 years ago
2
updated paper link
#22
babbush
closed
6 years ago
0
New version
#21
jarrodmcc
closed
6 years ago
0
new format
#20
babbush
closed
6 years ago
0
citation space
#19
babbush
closed
6 years ago
0
fixed citation
#18
babbush
closed
6 years ago
0
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