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Vibrational structure calculations #1232

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5fd9b70
bosonic operator class
paulineollitrault Jul 15, 2020
2e680f7
added docstring
paulineollitrault Jul 15, 2020
5d7bcd3
Fix style, lint, typehints, html. Add class to init
woodsp-ibm Jul 15, 2020
f7d580d
check the typeints
paulineollitrault Jul 16, 2020
165c037
solved the immutable tuple problem
paulineollitrault Jul 16, 2020
fb20e32
uvcc variational form
paulineollitrault Jul 17, 2020
3d9bbe8
added the Compact Heuristic for Chemistry
paulineollitrault Jul 18, 2020
6e32b0c
added a print function for looking at the relevant exact states
paulineollitrault Jul 18, 2020
68ae0bc
added the support_parametrized_circuit flag. at the moment uvcc and c…
paulineollitrault Jul 18, 2020
dd14a7b
added the vModes initial state
paulineollitrault Jul 18, 2020
23d5f40
re-added copyright and module docstring
paulineollitrault Jul 21, 2020
a399b7d
docstring for print_exact_state module and break lines
paulineollitrault Jul 21, 2020
82305ea
Fix lint issues
woodsp-ibm Jul 21, 2020
1eb34ad
renaming VModes to VSCF
paulineollitrault Jul 22, 2020
cecf33c
modified type
paulineollitrault Jul 22, 2020
025034c
Merge branch 'master' into bosonic_operator
woodsp-ibm Aug 6, 2020
7291611
Add G16 driver giving log file result
woodsp-ibm Aug 9, 2020
0d7e6ba
Merge branch 'master' into bosonic_operator
woodsp-ibm Aug 9, 2020
b0f5785
Update result docstrings and remove unused fields
woodsp-ibm Aug 9, 2020
9027a42
Fix/improve html
woodsp-ibm Aug 9, 2020
d3a28d8
Fix style
woodsp-ibm Aug 9, 2020
db7bacf
Fix mypy issues
woodsp-ibm Aug 9, 2020
5e39d48
Work in progress to process data for bosonic operator input
woodsp-ibm Aug 9, 2020
39c3762
Map indices A to H and fix harmonics
woodsp-ibm Aug 11, 2020
767343b
Merge branch 'master' into bosonic_operator
woodsp-ibm Aug 13, 2020
43bb3f7
Modified the harmonic integral code to take into consideration the ki…
paulineollitrault Aug 17, 2020
d386a89
Merge branch 'bosonic_operator' of https://github.com/paulineollitrau…
paulineollitrault Aug 17, 2020
7e8a7c8
Merge branch 'master' into bosonic_operator
woodsp-ibm Aug 18, 2020
152434e
changed the indexing to match the bosonic operator input + added docs…
paulineollitrault Aug 21, 2020
83587cf
Merge branch 'bosonic_operator' of https://github.com/paulineollitrau…
paulineollitrault Aug 21, 2020
8206fc0
Merge branch 'master' into bosonic_operator
woodsp-ibm Aug 21, 2020
b94297a
Fix lint
woodsp-ibm Aug 21, 2020
3762005
Fix mypy issues
woodsp-ibm Aug 21, 2020
5df1ecc
Update unit test for gaussian log result
woodsp-ibm Aug 21, 2020
c106b2d
parametrized circuit capability for chc and uvcc
paulineollitrault Aug 24, 2020
dccf34c
Merge branch 'bosonic_operator' of https://github.com/paulineollitrau…
paulineollitrault Aug 24, 2020
8ecb568
fixed the harmonic integrals
paulineollitrault Aug 26, 2020
fd8219e
parametrized circuit fixed for chc and uvcc
paulineollitrault Aug 26, 2020
5f0fa0d
unit tests for vscf, uvcc and chc
paulineollitrault Aug 26, 2020
41eff7c
test for the bosonic operator and fix the print option for the exact …
paulineollitrault Aug 26, 2020
3525e5a
fixed the harmonic integral function and fixed the print function of …
paulineollitrault Aug 27, 2020
b61a450
unit test for the harmonic integrals
paulineollitrault Aug 27, 2020
a52ff0c
Fix lint and update harmonic modes test case
woodsp-ibm Aug 27, 2020
38a41cb
Merge branch 'master' into bosonic_operator
woodsp-ibm Aug 27, 2020
a50d1ad
Merge branch 'bosonic_operator' of https://github.com/paulineollitrau…
paulineollitrault Aug 28, 2020
1bb793f
finished and fixed unit tests
paulineollitrault Aug 28, 2020
a0ed1d2
changed the type of h in the init of the bosonic_operator
paulineollitrault Aug 28, 2020
22f99e3
Fix lint and update test case
woodsp-ibm Aug 28, 2020
06dcf25
gaussian log for tests
paulineollitrault Aug 31, 2020
0d0a4c5
modified gaussian log
paulineollitrault Aug 31, 2020
d2213b0
Merge branch 'master' into bosonic_operator
woodsp-ibm Aug 31, 2020
2d0b4ae
Fix mypy, lint, spell
manoelmarques Sep 3, 2020
53cc8fa
Merge branch 'master' into bosonic_operator
manoelmarques Sep 3, 2020
fca40fb
Remove utf8 headers
manoelmarques Sep 3, 2020
58cf0a3
fix spelling
manoelmarques Sep 3, 2020
afc71c9
Merge branch 'master' into bosonic_operator
manoelmarques Sep 8, 2020
7ba3982
Merge branch 'master' into bosonic_operator
manoelmarques Sep 10, 2020
6a3298f
fix lint
manoelmarques Sep 10, 2020
3c0f43d
Merge branch 'master' into bosonic_operator
manoelmarques Sep 10, 2020
52aa19b
Merge branch 'master' into bosonic_operator
manoelmarques Sep 11, 2020
05bf1eb
Merge branch 'master' into bosonic_operator
manoelmarques Sep 11, 2020
92fcabb
Merge branch 'master' into bosonic_operator
manoelmarques Sep 12, 2020
7ee8d05
Merge branch 'master' into bosonic_operator
manoelmarques Sep 12, 2020
75f2d01
Merge branch 'master' into bosonic_operator
manoelmarques Sep 12, 2020
f693f6e
Merge branch 'master' into bosonic_operator
manoelmarques Sep 12, 2020
1d77b83
Merge branch 'master' into bosonic_operator
manoelmarques Sep 15, 2020
956f3cb
Merge branch 'master' into bosonic_operator
manoelmarques Sep 15, 2020
7cebea0
Merge branch 'master' into bosonic_operator
manoelmarques Sep 18, 2020
ff2aef4
Merge branch 'master' into bosonic_operator
manoelmarques Sep 21, 2020
eef9a23
Merge branch 'master' into bosonic_operator
manoelmarques Sep 21, 2020
da22102
applied suggestions from code review
paulineollitrault Sep 24, 2020
e8121c8
added docstring
paulineollitrault Sep 24, 2020
7aaf89c
fix lint
manoelmarques Sep 24, 2020
dd810dd
Merge branch 'master' into bosonic_operator
woodsp-ibm Sep 25, 2020
2de81d8
Add test to check num qubits has been set
woodsp-ibm Sep 25, 2020
e4d7ec2
Remove blank line
woodsp-ibm Sep 25, 2020
fe88771
Replace vscf 'u3' gate use (which will be deprecated) by 'u'
woodsp-ibm Sep 25, 2020
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14 changes: 14 additions & 0 deletions .pylintdict
Original file line number Diff line number Diff line change
Expand Up @@ -54,6 +54,7 @@ bmod
bohr
bool
boolean
bosonic
bpa
brassard
bravyi
Expand All @@ -66,6 +67,7 @@ cdf
cdot
ceil
cfg
chc
chernoff
chu
chuang's
Expand Down Expand Up @@ -157,6 +159,7 @@ ecc
eckstein
ee
eigen
eigenenergies
eigensolver
eigensolvers
eigenstate
Expand Down Expand Up @@ -306,6 +309,7 @@ izaac
jac
jacobian
jb
jcf
ji
jl
jordan
Expand Down Expand Up @@ -333,6 +337,7 @@ len
leq
lhs
libname
Libor
lih
lijh
lin
Expand Down Expand Up @@ -365,6 +370,7 @@ maxfun
maxima
maxiter
maxiters
McArdle
mccluskey
mct
mdl
Expand All @@ -381,6 +387,7 @@ minwidth
mitarai
mle
moc
modals
mohij
mohijkl
mol
Expand Down Expand Up @@ -439,6 +446,7 @@ observables
oe
oi
ok
Ollitrault
onee
online
onodera
Expand Down Expand Up @@ -532,6 +540,7 @@ quantile
quantized
quantumcircuit
quantumregister
quartic
qubit
qubitization
qubits
Expand Down Expand Up @@ -694,17 +703,22 @@ upperbound
username
usr
utils
uvcc
vals
varform
variational
vartype
vazirani
vecs
Veis
vertices
vibrational
ville
visualisation
vqc
vqe
vqe's
vscf
watrous's
wavefunction
wavefunctions
Expand Down
5 changes: 4 additions & 1 deletion qiskit/chemistry/__init__.py
Original file line number Diff line number Diff line change
Expand Up @@ -129,12 +129,13 @@
QiskitChemistryError

Chemistry Classes
==================
=================

.. autosummary::
:toctree: ../stubs/
:nosignatures:

BosonicOperator
FermionicOperator
QMolecule
MP2Info
Expand All @@ -155,13 +156,15 @@

from .qiskit_chemistry_error import QiskitChemistryError
from .qmolecule import QMolecule
from .bosonic_operator import BosonicOperator
from .fermionic_operator import FermionicOperator
from .mp2info import MP2Info
from ._logging import (get_qiskit_chemistry_logging,
set_qiskit_chemistry_logging)

__all__ = ['QiskitChemistryError',
'QMolecule',
'BosonicOperator',
'FermionicOperator',
'MP2Info',
'get_qiskit_chemistry_logging',
Expand Down
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