SPIRIT Python API

State

To create a new state with one chain containing a single image, initialized by an input file, and run the most simple example of a spin dynamics simulation:

from spirit import state
from spirit import simulation

cfgfile = "input/input.cfg"                     # Input File
with state.State(cfgfile) as p_state:           # State setup
    simulation.PlayPause(p_state, "LLG", "SIB") # Start a LLG simulation using the SIB solver

or call setup and delete manually:

from spirit import state
from spirit import simulation

cfgfile = "input/input.cfg"                 # Input File
p_state = state.setup(cfgfile)              # State setup
simulation.PlayPause(p_state, "LLG", "SIB") # Start a LLG simulation using the SIB solver
state.delete(p_state)                       # State cleanup

You can pass a config file specifying your initial system parameters. If you do not pass a config file, the implemented defaults are used. Note that you currently cannot change the geometry of the systems in your state once they are initialized.

State manipulation	Returns
`setup( configfile="", quiet=False )`	`None`
`delete(p_state )`	`None`

Chain

For having more images one can copy the active image in the Clipboard and then insert in a specified position of the chain.

chain.Image_to_Clipboard(p_state )   # Copy p_state to Clipboard
chain.Insert_Image_After(p_state )   # Insert the image from Clipboard right after the currently active image

For getting the total number of images in the chain

number_of_images = chain.Get_NOI(p_state )

Get Info	Returns	Description
`Get_Index(p_state )`	`int`	Get Chain index
`Get_NOI(p_state, idx_chain=-1)`	`int`	Get Chain number of images
`Get_Rx(p_state, idx_chain=-1)`	`Array`	Get Rx
`Get_Rx_Interpolated(p_state, idx_chain=-1)`	`Array(float)`	Get Rx interpolated
`Get_Energy(p_state, idx_chain=-1)`	`Array(float)`	Get Energy of every System in Chain
`Get_Energy_Interpolated(p_state, idx_chain=-1)`	`Array(float)`	Get interpolated Energy of every System in Chain

Image Manipulation	Returns	Description
`Next_Image(p_state, idx_chain=-1)`	`None`	Switch active to next image of chain (one with largest index). If the current active is the last there is no effect.
`Prev_Image(p_state, idx_chain=-1)`	`None`	Switch active to previous image of chain (one with smaller index). If the current active is the first one there is no effect
`Jump_To_Image(p_state, idx_image=-1, idx_chain=-1)`	`None`	Switch active to specific image of chain. If this image does not exist there is no effect.
`Image_to_Clipboard(p_state, idx_image=-1, idx_chain=-1)`	`None`	Copy active image to clipboard
`Replace_Image(p_state, idx_image=-1, idx_chain=-1)`	`None`	Replace active image in chain. If the image does not exist there is no effect.
`Insert_Image_Before(p_state, idx_image=-1, idx_chain=-1)`	`None`	Inserts clipboard image before the current active image. Active image index is increment by one.
`Insert_Image_After(p_state, idx_image=-1, idx_chain=-1)`	`None`	Insert clipboard image after the current active image. Active image has the same index.
`Push_Back(p_state, idx_chain=-1)`	`None`	Insert clipboard image at end of chain (after the image with the largest index).
`Delete_Image(p_state, idx_image=-1, idx_chain=-1)`	`None`	Delete active image. If index is specified delete the corresponding image. If the image does not exist there is no effect.
`Pop_Back(p_state, idx_chain=-1)`	`None`	Delete image at end of chain.

Data	Returns	Description
`Update_Data(p_state, idx_chain=-1)`	`None`	Update the chain's data (interpolated energies etc.)
`Setup_Data(p_state, idx_chain=-1)`	`None`	Setup the chain's data arrays

System

System	Returns	Description
`Get_Index(p_state)`	`int`	Returns the index of the currently active image
`Get_NOS(p_state, idx_image=-1, idx_chain=-1)`	`int`	Returns the number of spins
`Get_Spin_Directions(p_state, idx_image=-1, idx_chain=-1)`	`[3*NOS]`	Returns an `numpy.Array` of size `3*NOS` with the components of each spin's vector
`Get_Energy(p_state, idx_image=-1, idx_chain=-1)`	`float`	Returns the energy of the system
`Update_Data(p_state, idx_image=-1, idx_chain=-1)`	`None`	Update the data of the state
`Print_Energy_Array(p_state, idx_image=-1, idx_chain=-1)`	`None`	Print the energy array of the state

Constants

Physical Constants	Returns	Description
`mu_B()`	`float`	The Bohr Magneton [meV / T]
`k_B()`	`float`	The Boltzmann constant [meV / K]
`hbar()`	`float`	Planck's constant over 2pi [meV*ps / rad]
`mRy()`	`float`	Millirydberg [mRy / meV]
`gamma()`	`float`	The Gyromagnetic ratio of electron [rad / (ps*T)]
`g_e()`	`float`	The Electron g-factor [unitless]

Geometry

Get Geometry parameters	Returns	Description
`Get_Bounds(p_state, idx_image=-1, idx_chain=-1)`	`[3], [3]`	Get bounds (minimum and maximum arrays)
`Get_Center(p_state, idx_image=-1, idx_chain=-1)`	`float, float, float`	Get center
`Get_Basis_Vectors(p_state, idx_image=-1, idx_chain=-1)`	`[3],[3],[3]`	Get basis vectors
`Get_N_Cells(p_state, idx_image=-1, idx_chain=-1)`	`Int, Int, Int`	Get number of cells in each dimension
`Get_Translation_Vectors(p_state, idx_image=-1, idx_chain=-1)`	`[3],[3],[3]`	Get translation vectors
`Get_Dimensionality(p_state, idx_image=-1, idx_chain=-1)`	`int`	Get dimensionality of the system
`Get_Spin_Positions(p_state, idx_image=-1, idx_chain=-1)`	`[3*NOS]`	Get Spin positions
`Get_Atom_Types(p_state, idx_image=-1, idx_chain=-1)`	`[NOS]`	Get atom types

Hamiltonian

Set Parameters	Returns	Description
`Set_Field(p_state, magnitude, direction, idx_image=-1, idx_chain=-1)`	`None`	Set external magnetic field
`Set_Anisotropy(p_state, magnitude, direction, idx_image=-1, idx_chain=-1)`	`None`	Set anisotropy

Log

Log manipulation	Returns	Description
`Send(p_state, level, sender, message, idx_image=-1, idx_chain=-1)`	`None`	Send a Log message
`Append(p_state)`	`None`	Append Log to file

Parameters

LLG

Set LLG Parameters	Returns
`setIterations(p_state, n_iterations, n_iterations_log, idx_image=-1, idx_chain=-1)`	`None`
`setDirectMinimization(p_state, use_minimization, idx_image=-1, idx_chain=-1)`	`None`
`setConvergence(p_state, convergence, idx_image=-1, idx_chain=-1)`	`None`
`setTimeStep(p_state, dt, idx_image=-1, idx_chain=-1)`	`None`
`setDamping(p_state, damping, idx_image=-1, idx_chain=-1)`	`None`
`setSTT(p_state, use_gradient, magnitude, direction, idx_image=-1, idx_chain=-1)`	`None`
`setTemperature(p_state, temperature, idx_image=-1, idx_chain=-1)`	`None`

Get LLG Parameters	Returns
`getIterations(p_state, idx_image=-1, idx_chain=-1)`	`int, int`
`getDirect_Minimization(p_state, idx_image=-1, idx_chain=-1)`	`int`
`getConvergence(p_state, idx_image=-1, idx_chain=-1)`	`float`
`getTimeStep(p_state, idx_image=-1, idx_chain=-1)`	`float`
`getDamping(p_state, idx_image=-1, idx_chain=-1)`	`float`
`getSTT(p_state, idx_image=-1, idx_chain=-1)`	`float, [3], bool`
`getTemperature(p_state, idx_image=-1, idx_chain=-1)`	`float`

GNEB

Set GNEB Parameters	Returns
`setIterations(p_state, n_iterations, n_iterations_log, idx_image=-1, idx_chain=-1)`	`None`
`setConvergence(p_state, convergence, idx_image=-1, idx_chain=-1)`	`None`
`setSpringConstant(p_state, c_spring, idx_image=-1, idx_chain=-1)`	`None`
`setClimbingFalling(p_state, image_type, idx_image=-1, idx_chain=-1)`	`None`
`setImageTypeAutomatically(p_state, idx_chain=-1)`	`None`

Get GNEB Parameters	Returns
`getIterations(p_state, idx_chain=-1)`	`int, int`
`getConvergence(p_state, idx_image=-1, idx_chain=-1)`	`float`
`getSpringConstant(p_state, idx_image=-1, idx_chain=-1)`	`float`
`getClimbingFalling(p_state, idx_image=-1, idx_chain=-1)`	`int`
`getEnergyInterpolations(p_state, idx_chain=-1)`	`int`

Quantities

Get Physical Quantities	Returns
`Get_Magnetization(p_state, idx_image=-1, idx_chain=-1)`	`[3*float]`

Simulation

The available method_types are:

Method	Argument
Landau-Lifshitz-Gilbert	`"LLG"`
Geodesic Nudged Elastic Band	`"GNEB"`
Monte-Carlo	`"MC"`

The available solver_types are:

Solver	Argument
Semi-Implicit Method B	`"SIB"`
Heun Method	`"Heun"`
Depondt Method	`"Depondt"`
Velocity Projection	`"VP"`
Nonlinear Conjugate Gradient	`"NCG"`

Note that the VP and NCG Solvers are only meant for direct minimization and not for dynamics.

Simulation state	Returns
`SingleShot(p_state, method_type, solver_type, n_iterations=-1, n_iterations_log=-1, idx_image=-1, idx_chain=-1)`	`None`
`PlayPause(p_state, method_type, solver_type, n_iterations=-1, n_iterations_log=-1, idx_image=-1, idx_chain=-1)`	`None`
`Stop_All(p_state)`	`None`
`Running_Image(p_state, idx_image=-1, idx_chain=-1)`	`Boolean`
`Running_Chain(p_state, idx_chain=-1)`	`Boolean`
`Running_Collection(p_state)`	`Boolean`
`Running_Anywhere_Chain(p_state, idx_chain=-1)`	`Boolean`
`Running_Anywhere_Collection(p_state)`	`Boolean`

Transition

Transition options	Returns	Description
`Homogeneous(p_state, idx_1, idx_2, idx_chain=-1)`	`None`	Generate homogeneous transition between two images of a chain
`Add_Noise_Temperature(p_state, temperature, idx_1, idx_2, idx_chain=-1)`	`None`	Add some temperature-scaled noise to a transition between two images of a chain

Input/Output

Macros of File Formats for Vector Fields	values	Description
`IO_Fileformat_Regular`	0	sx sy sz (separated by whitespace)
`IO_Fileformat_Regular_Pos`	1	px py pz sx sy sz (separated by whitespace)
`IO_Fileformat_CSV`	2	sx, sy, sz (separated by commas)
`IO_Fileformat_CSV_Pos`	3	px, py, pz, sx, sy, (sz separated by commas)
`IO_Fileformat_OVF_bin8`	4	OOMMF vector field (OVF) v2.0 file format
`IO_Fileformat_OVF_text`	6

For Image	Description
`Image_Read(p_state, filename, fileformat=0, idx_image=-1, idx_chain=-1)`	Read an image from disk
`Image_Write(p_state, filename, fileformat=0, comment=" ", idx_image=-1, idx_chain=-1)`	Write an image to disk
`Image_Append(p_state, filename, fileformat=0, comment=" ", idx_image=-1, idx_chain=-1)`	Append an image to an existing file

For Chain	Description
`Chain_Read(p_state, filename, fileformat=0, idx_chain=-1)`	Read a chain of images from disk
`Chain_Write(p_state, filename, fileformat=0, comment=" ", idx_chain=-1)`	Write a chain of images to disk
`Chain_Append(p_state, filename, fileformat=0, comment=" ", idx_chain=-1)`	Append a chain of images to disk

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API_Python.md

API_Python.md

SPIRIT Python API

State

Chain

System

Constants

Geometry

Hamiltonian

Log

Parameters

LLG

GNEB

Quantities

Simulation

Transition

Input/Output

Files

API_Python.md

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API_Python.md

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SPIRIT Python API

State

Chain

System

Constants

Geometry

Hamiltonian

Log

Parameters

LLG

GNEB

Quantities

Simulation

Transition

Input/Output