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BoothGroup
/
ebcc
Coupled cluster models for both purely electron and coupled electron-boson models, with a focus on generality and model extensibility.
https://boothgroup.github.io/ebcc/
MIT License
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More EOM
#77
obackhouse
closed
1 week ago
1
MP2 DMs and EOM
#76
obackhouse
closed
1 week ago
1
Left-hand EOM
#75
obackhouse
closed
2 weeks ago
0
Intermediates for EOM
#74
obackhouse
closed
2 weeks ago
0
Bump version to 1.5.0
#73
obackhouse
closed
2 weeks ago
0
Sync bootstrap
#72
obackhouse
closed
2 weeks ago
0
Remove moments
#71
obackhouse
closed
2 weeks ago
1
IP and EA-EOM-RCCSD
#70
obackhouse
closed
2 weeks ago
1
Updates to `README`
#69
obackhouse
closed
3 weeks ago
1
Use `Namespace` for EOM amplitudes
#68
obackhouse
closed
3 weeks ago
1
Restructure package
#67
obackhouse
closed
3 weeks ago
1
Fix initials
#66
obackhouse
closed
4 weeks ago
0
Bump version to 1.4.5
#65
obackhouse
closed
4 weeks ago
0
Add citation file
#64
obackhouse
closed
4 weeks ago
0
Bump version to 1.4.4
#63
obackhouse
closed
4 weeks ago
0
Proper citation(s)
#62
vvp-nsk
closed
3 weeks ago
2
Fix energy for DFT reference
#61
obackhouse
closed
1 month ago
1
Remove CCSDt
#60
obackhouse
closed
1 month ago
1
Incorrect reference energy with DFT
#59
obackhouse
closed
1 month ago
0
Add `optimize=True` to `einsum` fallback
#58
obackhouse
closed
2 months ago
1
AttributeError: 'str' object has no attribute 'flags
#57
vvp-nsk
closed
3 weeks ago
2
Ansatz clashes for case-insensitive filesystems
#56
obackhouse
opened
4 months ago
0
Logging improvements
#55
obackhouse
closed
5 months ago
1
Question on CCSD(aT) (aka Lambda-CCSD(T))
#54
vvp-nsk
opened
5 months ago
7
Frozen natural orbitals
#53
obackhouse
closed
6 months ago
1
Maintenance bits
#52
obackhouse
closed
6 months ago
0
Question on Brueckner
#51
vvp-nsk
closed
6 months ago
1
Bump version to 1.4.3
#50
obackhouse
closed
6 months ago
0
Fix for Brueckner self-consistency rotation matrix
#49
obackhouse
closed
6 months ago
1
Density fitting fails when not incore
#48
obackhouse
closed
3 weeks ago
0
Fixes for single precision unrestricted density fitting
#47
obackhouse
closed
6 months ago
1
Single precision density fitting fails
#46
obackhouse
closed
6 months ago
0
Fix for open-shell Brueckner orbital self-consistency
#45
obackhouse
closed
6 months ago
0
Brueckner self-consistency broken for open-shell systems
#44
obackhouse
closed
6 months ago
13
Bump version to 1.4.2
#43
obackhouse
closed
6 months ago
0
Fix `pyscf.tblis_einsum` import
#42
obackhouse
closed
6 months ago
0
AttributeError: module 'pyscf.tblis_einsum' has no attribute 'tblis_dtype'
#41
vvp-nsk
closed
6 months ago
6
Bump version to 1.4.1
#40
obackhouse
closed
9 months ago
0
Fix UCCSDt
#39
obackhouse
closed
9 months ago
3
CCSDt with UHF results in ValueError
#38
abhishekkhedkar09
closed
9 months ago
11
CCSD(T) optimisations
#37
obackhouse
closed
10 months ago
1
Implements CCSDt
#36
obackhouse
closed
10 months ago
1
Single- and mixed-precision support
#35
obackhouse
closed
10 months ago
1
Bump version
#34
obackhouse
closed
11 months ago
0
DCD and DCSD
#33
obackhouse
closed
11 months ago
1
Density fitting
#32
obackhouse
closed
10 months ago
1
Improves examples
#31
obackhouse
closed
11 months ago
1
Bump version to 1.3.1
#30
obackhouse
closed
1 year ago
0
Fix erroneous argument in __len__ definition for Namespace.
#29
cjcscott
closed
1 year ago
2
Refactoring and cleaning
#28
obackhouse
closed
1 year ago
1
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