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quantumlib
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OpenFermion-Psi4
OpenFermion plugin to interface with the electronic structure package Psi4.
GNU Lesser General Public License v3.0
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Add NOTICE to MANIFEST
#49
BastianZim
closed
2 years ago
0
improve exception handling in run_psi4
#48
eendebakpt
opened
3 years ago
0
improve exception handling in run_psi4
#47
peendebak
closed
3 years ago
1
Extracted the ccsd same-spin amplitudes for restricted/closed-shell c…
#46
bsenjean
closed
3 years ago
0
Up version for new pypi
#45
ncrubin
closed
3 years ago
0
Warning: No calculation saved. Psi4 segmentation fault possible.
#44
PabloAMC
closed
3 years ago
7
unable to run example
#43
mtesseracted
closed
3 years ago
1
OF-Psi4 now works with module reorg of OF
#42
ncrubin
closed
4 years ago
0
Automatically adding the "missing" amplitudes from Psi4.
#41
bsenjean
opened
4 years ago
7
Python-based CCSD Amplitudes
#40
dgasmith
opened
4 years ago
0
Sorting of CCSD amplitudes
#39
bsenjean
closed
4 years ago
1
citation update
#38
babbush
closed
5 years ago
0
Trying
#37
hrgrimsl
closed
5 years ago
1
update version
#36
babbush
closed
6 years ago
0
Cut a new release
#35
kevinsung
opened
6 years ago
2
readme encoding
#34
loriab
closed
6 years ago
0
updated authors in README/NOTICE
#33
babbush
closed
6 years ago
1
New function which returns MolecularData geometry of input PubChem names.
#32
daochenw
closed
6 years ago
2
Psi4 calculation converges, Openfermionpsi4 plugin calculation doesn't
#31
TariniHardikar
closed
6 years ago
2
add Pranav to README and NOTICE
#30
kevinsung
closed
6 years ago
1
Bump version and OpenFermion requirements
#29
jarrodmcc
closed
6 years ago
0
Tolerate error
#28
jarrodmcc
closed
6 years ago
0
updated arXiv citation
#27
babbush
closed
6 years ago
0
version update
#26
babbush
closed
6 years ago
0
possible issue with basis rotation
#25
conta877
closed
6 years ago
5
fixed erroneous import statement
#24
babbush
closed
6 years ago
0
ImportError: cannot import name general_basis_change (_psi4_template)
#23
conta877
closed
6 years ago
5
Corrected import statement
#22
TariniHardikar
closed
6 years ago
6
Fixed import statements and use of general_basis_change
#21
TariniHardikar
closed
6 years ago
4
Error in IPython demo file + _psi_template file (?)
#20
TariniHardikar
closed
6 years ago
4
updated arXiv citation
#19
babbush
closed
6 years ago
0
added seg fault warning
#18
babbush
closed
6 years ago
1
updated citation link
#17
babbush
closed
6 years ago
0
New version
#16
jarrodmcc
closed
6 years ago
0
version update
#15
babbush
closed
6 years ago
0
Data update problem
#14
jarrodmcc
closed
6 years ago
3
Add overlap integrals back to being stored in Psi4
#13
jarrodmcc
closed
6 years ago
0
increased version
#12
babbush
closed
6 years ago
0
adapted code for hamiltonians module
#11
babbush
closed
6 years ago
0
better install instructions
#10
babbush
closed
7 years ago
0
updated readme
#9
babbush
closed
7 years ago
0
fixed thomas' name
#8
babbush
closed
7 years ago
0
fixed typo in readme link
#7
babbush
closed
7 years ago
0
Better install instructions
#6
babbush
closed
7 years ago
0
update openfermion version requirement
#5
idk3
closed
7 years ago
0
adding personal link to README
#4
idk3
closed
7 years ago
0
Updated readme and requirements
#3
babbush
closed
7 years ago
0
Better install instructions
#2
babbush
closed
7 years ago
3
Move to master-based git workflow
#1
maffoo
closed
7 years ago
1