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HyQD
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coupled-cluster
Upstream coupled cluster code
MIT License
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Time-dependent tests are outdated
#57
Schoyen
closed
3 years ago
0
Omp2
#56
haakoek
closed
3 years ago
0
Documentation
#55
haakoek
closed
4 years ago
0
One-body expectation values
#54
Schoyen
closed
4 years ago
2
Fix q space
#53
halvarsu
opened
4 years ago
2
Frozen core support for rccsd and tdrccsd
#52
haakoek
closed
4 years ago
1
Erroneous Q-space equations
#51
halvarsu
opened
4 years ago
1
Restricted noccd ground state solver
#50
haakoek
closed
4 years ago
1
Remove integrator classes
#49
Schoyen
closed
4 years ago
0
Groundstate rccd
#48
haakoek
closed
4 years ago
0
Implement restricted CCD and NOCCD
#47
haakoek
closed
4 years ago
0
Change default behaviour of basis change in OACCD
#46
Schoyen
closed
4 years ago
2
Restrict the number of updates of the Hamiltonian
#45
Schoyen
closed
4 years ago
0
Clean dependencies
#44
Schoyen
closed
4 years ago
0
Add amp_template as property
#43
halvarsu
closed
4 years ago
0
Store truncation level as a static attribute
#42
Schoyen
closed
4 years ago
0
Remove redundant methods
#41
Schoyen
opened
4 years ago
0
Avoid constructing amplitudes from passed arrays multiple times
#40
Schoyen
opened
4 years ago
0
Avoid updating the Hamiltonian an unnecessary amount of times
#39
Schoyen
closed
4 years ago
0
Merge all the CC
#38
halvarsu
opened
4 years ago
0
Make it possible to set custom initial guess for t and lambda amplitudes
#37
haakoek
opened
4 years ago
0
Remove matrix elements from time dependent solvers
#36
halvarsu
opened
4 years ago
0
Refactor ode
#35
halvarsu
closed
4 years ago
7
Compute reference energy in system
#34
Schoyen
opened
4 years ago
0
Update coupled-cluster tests to use the new quantum system structure
#33
Schoyen
closed
4 years ago
0
Explore adiabatic switching for computing groundstate
#32
haakoek
closed
3 years ago
2
Change basis by default in OACCD/NOCCD?
#31
haakoek
closed
4 years ago
1
working ccd imaginary time propagation
#30
halvarsu
opened
4 years ago
2
Test cases for RCCSD
#29
haakoek
closed
4 years ago
1
Test cases for CCS
#28
Schoyen
opened
4 years ago
1
Include time-dependent CC-singles
#27
haakoek
closed
4 years ago
2
Implement imaginary time-propagation for all solvers
#26
Schoyen
opened
4 years ago
4
Compute particle density in quantum-systems
#25
Schoyen
closed
4 years ago
0
Support frozen core
#24
haakoek
opened
4 years ago
3
Store two-body integrals as blocks to avoid uneccessary slicing
#23
Schoyen
opened
4 years ago
0
Change of convention
#22
halvarsu
closed
4 years ago
2
fix dict lookup
#21
halvarsu
closed
4 years ago
1
Add sampler classes
#20
Schoyen
closed
5 years ago
0
Add phase calculation
#19
Schoyen
closed
5 years ago
0
Explicit symmetrization/hermitization of one-body density matrix
#18
Schoyen
closed
3 years ago
2
Avoid explicit construction/storage of vvvv-terms in OACCD
#17
haakoek
opened
5 years ago
0
Shorten name of ground state solvers
#16
Schoyen
closed
5 years ago
0
profile tdccsd and oatdccd
#15
haakoek
closed
3 years ago
1
Include nuclear repulsion energy in energy functions
#14
Schoyen
closed
3 years ago
5
Common mixer for t/l1 and t/l2
#13
rolfheil
closed
5 years ago
1
Add tau 0
#12
Schoyen
closed
5 years ago
0
Are the grid representation of one-electron density correct?
#11
haakoek
closed
5 years ago
2
Travis needs access to private repositories
#10
Schoyen
closed
5 years ago
0
Check if time-dependent CCD-energy is consistent
#9
Schoyen
closed
5 years ago
0
CCSD implemented as separate diagrams.
#8
gregwinther
closed
5 years ago
0
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