101 lines
5.1 KiB
Plaintext
101 lines
5.1 KiB
Plaintext
---
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title: VibronicStructureBase (v0.26)
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description: API reference for qiskit.chemistry.algorithms.pes_samplers.VibronicStructureBase in qiskit v0.26
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in_page_toc_min_heading_level: 1
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python_api_type: class
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python_api_name: qiskit.chemistry.algorithms.pes_samplers.VibronicStructureBase
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---
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<span id="qiskit-chemistry-algorithms-pes-samplers-vibronicstructurebase" />
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# qiskit.chemistry.algorithms.pes\_samplers.VibronicStructureBase
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<Class id="qiskit.chemistry.algorithms.pes_samplers.VibronicStructureBase" isDedicatedPage={true} github="https://github.com/qiskit-community/qiskit-aqua/tree/stable/0.9/qiskit/chemistry/algorithms/pes_samplers/potentials/potential_base.py" signature="VibronicStructureBase(molecule)" modifiers="class">
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Class to hold a molecular vibronic structure providing access to vibrational modes and energy levels.
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### \_\_init\_\_
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<Function id="qiskit.chemistry.algorithms.pes_samplers.VibronicStructureBase.__init__" signature="__init__(molecule)">
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Initialize self. See help(type(self)) for accurate signature.
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</Function>
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## Methods
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| ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- | ------------------------------------------------------------------------------------------------------------------------ |
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| [`__init__`](#qiskit.chemistry.algorithms.pes_samplers.VibronicStructureBase.__init__ "qiskit.chemistry.algorithms.pes_samplers.VibronicStructureBase.__init__")(molecule) | Initialize self. |
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| [`get_maximum_trusted_level`](#qiskit.chemistry.algorithms.pes_samplers.VibronicStructureBase.get_maximum_trusted_level "qiskit.chemistry.algorithms.pes_samplers.VibronicStructureBase.get_maximum_trusted_level")(\[n]) | Returns the maximum energy level for which the particular implementation still provides a good approximation of reality. |
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| [`get_num_modes`](#qiskit.chemistry.algorithms.pes_samplers.VibronicStructureBase.get_num_modes "qiskit.chemistry.algorithms.pes_samplers.VibronicStructureBase.get_num_modes")() | Returns the number of vibrational modes for the molecule. |
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| [`update_molecule`](#qiskit.chemistry.algorithms.pes_samplers.VibronicStructureBase.update_molecule "qiskit.chemistry.algorithms.pes_samplers.VibronicStructureBase.update_molecule")(molecule) | Wipe state if molecule changes, and check validity of molecule for potential. |
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| [`vibrational_energy_level`](#qiskit.chemistry.algorithms.pes_samplers.VibronicStructureBase.vibrational_energy_level "qiskit.chemistry.algorithms.pes_samplers.VibronicStructureBase.vibrational_energy_level")(n) | Returns the n-th vibrational energy level for a given mode. |
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### get\_maximum\_trusted\_level
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<Function id="qiskit.chemistry.algorithms.pes_samplers.VibronicStructureBase.get_maximum_trusted_level" signature="get_maximum_trusted_level(n=0)">
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Returns the maximum energy level for which the particular implementation still provides a good approximation of reality. Default value of 100. Redefined where needed (see e.g. Morse).
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**Parameters**
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**n** (`int`) – vibronic mode
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**Return type**
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`float`
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**Returns**
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maximum\_trusted\_level setted
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</Function>
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### get\_num\_modes
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<Function id="qiskit.chemistry.algorithms.pes_samplers.VibronicStructureBase.get_num_modes" signature="get_num_modes()" modifiers="abstract">
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Returns the number of vibrational modes for the molecule.
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**Return type**
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`float`
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**Returns**
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the number of vibrational modes
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</Function>
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### update\_molecule
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<Function id="qiskit.chemistry.algorithms.pes_samplers.VibronicStructureBase.update_molecule" signature="update_molecule(molecule)">
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Wipe state if molecule changes, and check validity of molecule for potential.
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**Parameters**
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**molecule** (`Molecule`) – chemistry molecule
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**Return type**
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`Molecule`
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**Returns**
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molecule used
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</Function>
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### vibrational\_energy\_level
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<Function id="qiskit.chemistry.algorithms.pes_samplers.VibronicStructureBase.vibrational_energy_level" signature="vibrational_energy_level(n)" modifiers="abstract">
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Returns the n-th vibrational energy level for a given mode.
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**Parameters**
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**n** (`int`) – number of vibrational mode
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**Return type**
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`float`
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**Returns**
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n-th vibrational energy level for a given mode
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</Function>
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</Class>
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