Skip to content
This repository has been archived by the owner on Jan 12, 2024. It is now read-only.

Archiving docs for deprecated qsharp-chemistry package #836

Closed
wants to merge 2 commits into from
Closed
Show file tree
Hide file tree
Changes from all commits
Commits
File filter

Filter by extension

Filter by extension

Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
Original file line number Diff line number Diff line change
@@ -0,0 +1,9 @@
### YamlMime:PythonPackage
uid: project-qsharp-chemistry
name: qsharp-chemistry
fullName: qsharp-chemistry
type: distribution
packages:
- qsharp.chemistry
modules:
- qsharp.chemistry.version
Original file line number Diff line number Diff line change
@@ -0,0 +1,12 @@
### YamlMime:PythonClass
uid: qsharp.chemistry.Broombridge
name: Broombridge
fullName: qsharp.chemistry.Broombridge
module: qsharp.chemistry
inheritances:
- builtins.object
summary: Represents an instance of a broombridge schema data
constructor:
syntax: 'Broombridge(data: Dict)'
parameters:
- name: data
Original file line number Diff line number Diff line change
@@ -0,0 +1,20 @@
### YamlMime:PythonClass
uid: qsharp.chemistry.FermionHamiltonian
name: FermionHamiltonian
fullName: qsharp.chemistry.FermionHamiltonian
module: qsharp.chemistry
inheritances:
- builtins.object
summary: Represents a fermion Hamiltonian.
constructor:
syntax: FermionHamiltonian(data)
parameters:
- name: data
methods:
- uid: qsharp.chemistry.FermionHamiltonian.add_terms
name: add_terms
summary: Adds terms to the fermion Hamiltonian.
signature: 'add_terms(fermion_terms: Iterable[Tuple[List[int], float]]) -> None'
parameters:
- name: fermion_terms
isRequired: true
Original file line number Diff line number Diff line change
@@ -0,0 +1,15 @@
### YamlMime:PythonEnum
uid: qsharp.chemistry.IndexConvention
name: IndexConvention
fullName: qsharp.chemistry.IndexConvention
module: qsharp.chemistry
constructor:
syntax: IndexConvention(value, names=None, *, module=None, qualname=None, type=None,
start=1, boundary=None)
inheritances:
- enum.Enum
fields:
- name: HalfUp
uid: qsharp.chemistry.IndexConvention.HalfUp
- name: UpDown
uid: qsharp.chemistry.IndexConvention.UpDown
Original file line number Diff line number Diff line change
@@ -0,0 +1,12 @@
### YamlMime:PythonClass
uid: qsharp.chemistry.InputState
name: InputState
fullName: qsharp.chemistry.InputState
module: qsharp.chemistry
inheritances:
- builtins.object
summary: Represents an input state.
constructor:
syntax: 'InputState(data: Dict)'
parameters:
- name: data
Original file line number Diff line number Diff line change
@@ -0,0 +1,41 @@
### YamlMime:PythonClass
uid: qsharp.chemistry.ProblemDescription
name: ProblemDescription
fullName: qsharp.chemistry.ProblemDescription
module: qsharp.chemistry
inheritances:
- builtins.object
summary: Represents an electronic structure problem.
constructor:
syntax: 'ProblemDescription(data: Dict)'
parameters:
- name: data
methods:
- uid: qsharp.chemistry.ProblemDescription.load_fermion_hamiltonian
name: load_fermion_hamiltonian
summary: 'Loads the fermion Hamiltonian associated with this electronic structure
problem.


*index_convention* can be ''UpDown'' or ''HalfUp'''
signature: 'load_fermion_hamiltonian(index_convention: IndexConvention = IndexConvention.UpDown)
-> FermionHamiltonian'
parameters:
- name: index_convention
defaultValue: IndexConvention.UpDown
- uid: qsharp.chemistry.ProblemDescription.load_input_state
name: load_input_state
summary: 'Loads the input state associated from this electronic structure problem
with the corresponding label.


If *wavefunction_label* is not specified, it loads the greedy (Hartree-Fock) state.


*index_convention* can be ''UpDown'' or ''HalfUp'''
signature: 'load_input_state(wavefunction_label: str = '''', index_convention: IndexConvention
= IndexConvention.UpDown) -> FermionHamiltonian'
parameters:
- name: wavefunction_label
- name: index_convention
defaultValue: IndexConvention.UpDown
Original file line number Diff line number Diff line change
@@ -0,0 +1,4 @@
### YamlMime:PythonModule
uid: qsharp.chemistry.version
name: version
fullName: qsharp.chemistry.version
Original file line number Diff line number Diff line change
@@ -0,0 +1,59 @@
### YamlMime:PythonPackage
uid: qsharp.chemistry
name: chemistry
fullName: qsharp.chemistry
type: import
functions:
- uid: qsharp.chemistry.encode
name: encode
summary: 'Encodes the given Hamiltonian and input state using the Jordan Wigner
encoding

that can be used to run chemistry simulations using Q#''s chemistry library.'
signature: 'encode(hamiltonian: FermionHamiltonian, input_state: InputState) ->
Tuple'
parameters:
- name: hamiltonian
- name: input_state
- uid: qsharp.chemistry.load_broombridge
name: load_broombridge
summary: Loads a Broombridge data file.
signature: 'load_broombridge(file_name: str) -> Broombridge'
parameters:
- name: file_name
- uid: qsharp.chemistry.load_fermion_hamiltonian
name: load_fermion_hamiltonian
summary: 'Loads the fermion Hamiltonian from the given file that contains broombridge
data.


*index_convention* can be ''UpDown'' or ''HalfUp'''
signature: 'load_fermion_hamiltonian(file_name: str, index_convention: IndexConvention
= IndexConvention.UpDown) -> FermionHamiltonian'
parameters:
- name: file_name
- name: index_convention
defaultValue: IndexConvention.UpDown
- uid: qsharp.chemistry.load_input_state
name: load_input_state
summary: "Loads the input state associated with the given labe from the given file\
\ that contains broombridge data..\n\nIf *wavefunction_label* is not specified,\
\ it loads the greedy (Hartree\u2013Fock) state.\n\n*index_convention* can be\
\ 'UpDown' or 'HalfUp'"
signature: 'load_input_state(file_name: str, wavefunction_label: str = None, index_convention:
IndexConvention = IndexConvention.UpDown) -> FermionHamiltonian'
parameters:
- name: file_name
- name: wavefunction_label
defaultValue: None
- name: index_convention
defaultValue: IndexConvention.UpDown
classes:
- qsharp.chemistry.Broombridge
- qsharp.chemistry.FermionHamiltonian
- qsharp.chemistry.InputState
- qsharp.chemistry.ProblemDescription
modules:
- qsharp.chemistry.version
enums:
- qsharp.chemistry.IndexConvention
Loading