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[WIP] Support the construction of Taylor form hamiltonian #6523

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a488e29
bosonic ops
austingmhuang Nov 5, 2024
fe6a264
refactor
austingmhuang Nov 5, 2024
7ef89ff
ordering fix
austingmhuang Nov 5, 2024
57e55d0
small
austingmhuang Nov 5, 2024
fe22357
initial commit
austingmhuang Nov 5, 2024
8d15328
import order
austingmhuang Nov 5, 2024
6eb5f28
license
austingmhuang Nov 5, 2024
3cde756
small docstring
austingmhuang Nov 5, 2024
32ce38d
docstring
austingmhuang Nov 5, 2024
49e75b0
docstring
austingmhuang Nov 5, 2024
82e5aba
temporary tests
austingmhuang Nov 5, 2024
a5c7671
remove
austingmhuang Nov 5, 2024
55f5ded
initial test case for H2S
austingmhuang Nov 6, 2024
70b3546
simplest test
austingmhuang Nov 6, 2024
844c04f
Added christiansen boson and fixed the bug
ddhawan11 Nov 7, 2024
714fea1
accurate test cases
austingmhuang Nov 7, 2024
37631b5
accurate test cases
austingmhuang Nov 7, 2024
180e26b
tests? could revert
austingmhuang Nov 5, 2024
59459a9
ascending order
austingmhuang Nov 7, 2024
bd474fb
fix
austingmhuang Nov 7, 2024
729a82e
revert back to ascending order
austingmhuang Nov 7, 2024
d5f82d3
Apply suggestions from code review
austingmhuang Nov 8, 2024
67873a1
Merge branch 'master' into bose_operators
austingmhuang Nov 8, 2024
06ae4ec
test fragments
austingmhuang Nov 8, 2024
07b8d96
small fixes, and tests
austingmhuang Nov 8, 2024
d39a3d3
[skip ci] black
austingmhuang Nov 8, 2024
c210ada
tests
austingmhuang Nov 8, 2024
244be79
small edits
austingmhuang Nov 8, 2024
f33f120
Update pennylane/labs/tests/vibrational_ham/test_bosonic.py
austingmhuang Nov 8, 2024
f0819be
Update pennylane/labs/vibrational_ham/bosonic.py
austingmhuang Nov 8, 2024
86fc4d6
Update pennylane/labs/vibrational_ham/bosonic.py
austingmhuang Nov 8, 2024
82a366a
Update pennylane/labs/vibrational_ham/bosonic.py
austingmhuang Nov 8, 2024
09f9981
Update pennylane/labs/vibrational_ham/bosonic.py
austingmhuang Nov 8, 2024
6bc979d
Merge branch 'master' into bose_operators
austingmhuang Nov 8, 2024
18762b5
Merge branch 'master' into bose_operators
austingmhuang Nov 8, 2024
4beccf1
[skip ci] black
austingmhuang Nov 8, 2024
c493be4
Merge branch 'master' into bose_operators
austingmhuang Nov 12, 2024
718fe06
change name to vibrational
austingmhuang Nov 8, 2024
4141d05
shift operator draft
austingmhuang Nov 11, 2024
fefa2cf
shift operator
austingmhuang Nov 12, 2024
a94e0c4
raise error tests for shift operator
austingmhuang Nov 13, 2024
3a7769b
Merge branch 'master' into bose_operators
austingmhuang Nov 13, 2024
1ea0e01
address codefactor
austingmhuang Nov 13, 2024
f748685
black
austingmhuang Nov 13, 2024
3aa8003
some more tests
austingmhuang Nov 13, 2024
afcf8a1
ready for review
austingmhuang Nov 13, 2024
8667f8f
ready for review
austingmhuang Nov 13, 2024
604095b
Merge branch 'master' into bose_operators
austingmhuang Nov 13, 2024
8abb82c
ready for review
austingmhuang Nov 13, 2024
6cb18ac
black
austingmhuang Nov 13, 2024
7f6fc01
cleaner, but not completely ideal
austingmhuang Nov 13, 2024
3651a1e
cleaner, but not completely ideal
austingmhuang Nov 13, 2024
b03ccb8
Update pennylane/labs/vibrational/bosonic.py
austingmhuang Nov 14, 2024
5ab62c6
Update pennylane/labs/vibrational/bosonic.py
austingmhuang Nov 14, 2024
b33075e
Update pennylane/labs/vibrational/bosonic.py
austingmhuang Nov 14, 2024
2291262
Update pennylane/labs/vibrational/bosonic.py
austingmhuang Nov 14, 2024
45488e7
Update pennylane/labs/vibrational/bosonic.py
austingmhuang Nov 14, 2024
96fbbcb
Update pennylane/labs/vibrational/bosonic.py
austingmhuang Nov 14, 2024
1157ccc
Update pennylane/labs/vibrational/bosonic.py
austingmhuang Nov 14, 2024
ef88820
Update pennylane/labs/vibrational/bosonic.py
austingmhuang Nov 14, 2024
1dc167d
remove useless loc
austingmhuang Nov 14, 2024
5c59617
black
austingmhuang Nov 14, 2024
66b7efc
dont know
austingmhuang Nov 14, 2024
ee79fa0
missing tests
austingmhuang Nov 14, 2024
67dca52
move to qchem main
austingmhuang Nov 15, 2024
1699bba
merge and move off of labs
austingmhuang Nov 15, 2024
222358f
move off of labs
austingmhuang Nov 15, 2024
9c92076
remove path from labs init
austingmhuang Nov 15, 2024
2867da9
Merge branch 'bose_operators' into taylor_bosonic
austingmhuang Nov 15, 2024
f20b5c0
Merge branch 'master' into taylor_bosonic
austingmhuang Nov 22, 2024
d3e4600
merge master
austingmhuang Nov 22, 2024
1b6e831
remove tests
austingmhuang Nov 22, 2024
a74408b
Merge branch 'master' into taylor_bosonic
austingmhuang Nov 22, 2024
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13 changes: 13 additions & 0 deletions pennylane/qchem/vibrational/__init__.py
Original file line number Diff line number Diff line change
@@ -0,0 +1,13 @@
"""
This submodule provides the functionality to calculate vibrational Hamiltonians.
"""

from .taylor_ham import (
taylor_anharmonic,
taylor_hamiltonian,
taylor_bosonic,
taylor_integrals,
taylor_harmonic,
taylor_integrals_dipole,
taylor_kinetic,
)
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