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goodchemistryco
/
Tangelo
A python package for exploring end-to-end chemistry workflows on quantum computers and simulators.
https://goodchemistryco.github.io/Tangelo/
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Helper class and functions for iFCI fragment import
#351
alexfleury-sb
closed
8 months ago
2
Bump develop to 0.4.1
#350
ValentinS4t1qbit
closed
9 months ago
0
New release v0.4.1 into main
#349
github-actions[bot]
closed
9 months ago
0
Performance upgrade to combinatorial mapping
#348
ValentinS4t1qbit
closed
9 months ago
0
QM/MM: charges solvers made consistent with users choices.
#347
alexfleury-sb
closed
9 months ago
0
Small fixes for ILC
#346
JamesB-1qbit
closed
9 months ago
0
Simplify method for circuits
#345
ValentinS4t1qbit
closed
9 months ago
0
Main to catch up with develop
#344
ValentinS4t1qbit
closed
10 months ago
0
Readme update: more straight to the point.
#343
ValentinS4t1qbit
closed
10 months ago
0
Support for following VQE minimization in VQESolver
#342
alexfleury-sb
closed
10 months ago
0
Qiskit runtime update + sampler with list of circuits
#341
ValentinS4t1qbit
closed
10 months ago
0
Convert name of Gate to uppercase when initializing
#340
JamesB-1qbit
closed
10 months ago
0
Function that returns the qubits used for Truncated Taylor Series
#339
JamesB-1qbit
closed
10 months ago
0
Classical solver uses mo_coeff from SecondQuantizedMolecule
#338
JamesB-1qbit
closed
10 months ago
1
Bug Fix: n_shots parameter was ignored in get_expectation_value
#337
JamesB-1qbit
closed
10 months ago
0
QM/MM support with electrostatic embedding
#336
JamesB-1qbit
closed
9 months ago
2
(Draft) Autocas interface as an IntegeralSolver
#335
alexfleury-sb
closed
7 months ago
2
Measurement Controlled operations
#334
JamesB-1qbit
closed
7 months ago
1
Adding more python versions to tests
#333
ValentinS4t1qbit
closed
11 months ago
0
QPESolver implementation
#332
JamesB-1qbit
closed
11 months ago
0
Fixes for MIFNOHelper after QEMIST Cloud 0.6.0 release
#331
alexfleury-sb
closed
11 months ago
1
Fix combinatorial mapping when spin!=0
#330
alexfleury-sb
closed
1 year ago
0
[FEATURE REQUEST] Exporing a circuit to QASM or JSON as a sequence of Pauli Rotations
#329
einarG-1qbit
closed
11 months ago
5
Main and develop sync: test
#328
ValentinS4t1qbit
closed
1 year ago
0
Bump develop to v0.4.0.RC
#327
ValentinS4t1qbit
closed
1 year ago
0
New release v0.4.0.RC into main
#326
github-actions[bot]
closed
1 year ago
0
Qiskit interface: Bug workaround and PauliSumOp->SparsePauliOp
#325
JamesB-1qbit
closed
1 year ago
0
Fixed requirements
#324
ccoulombe
closed
1 year ago
5
DMET ecp test: change optimizer to minimize square
#323
JamesB-1qbit
closed
1 year ago
0
improved Error message for MP2 initialization
#322
JamesB-1qbit
closed
1 year ago
0
Typos in docs
#321
alexfleury-sb
closed
1 year ago
0
Change installation
#320
JamesB-1qbit
closed
1 year ago
1
skip performance tests when using pytest
#319
JamesB-1qbit
closed
1 year ago
0
DMET Effective Core Potential fix(related to #306)
#318
JamesB-1qbit
closed
1 year ago
1
ADAPT VQE: add spin to available options and docstring
#317
JamesB-1qbit
closed
1 year ago
0
Removed deprecated Linq functions
#316
ValentinS4t1qbit
closed
1 year ago
0
MP2 psi4
#315
JamesB-1qbit
closed
1 year ago
0
Stim clifford simulator integration
#314
elloyd-1qbit
closed
1 year ago
0
CCSD solver psi4
#313
JamesB-1qbit
closed
1 year ago
0
Braket connection
#312
ValentinS4t1qbit
closed
1 year ago
0
Checkfile for IntegralSolverPySCF
#311
alexfleury-sb
closed
1 year ago
0
Support for UMP2 initial parameters
#310
alexfleury-sb
closed
1 year ago
0
FCISolverPsi4
#309
JamesB-1qbit
closed
1 year ago
0
Change multi-controlled CNOT to multi-controlled CX
#308
JamesB-1qbit
closed
1 year ago
0
added typing for option dictionaries
#307
JamesB-1qbit
closed
1 year ago
0
[BUG] Unexpected Difference between CCSD and DMET-CCSD Energies with ECP
#306
jjgoings
closed
1 year ago
6
Trim bug
#305
JamesB-1qbit
closed
1 year ago
0
Set the DMET virtual orbital truncation threshold at the user level
#304
alexfleury-sb
closed
1 year ago
0
Push contributors towards develop and not to main for PRs
#303
ValentinS4t1qbit
closed
1 year ago
0
Trim trivial qubits from circuit and Hamiltonian
#302
elloyd-1qbit
closed
1 year ago
0
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